Name: | (Z)-4-phenylbut-3-ene-1,2,3-triol |
CAS Number: | 1319-88-6 | 3D/inchi
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ECHA EINECS - REACH Pre-Reg: | 215-294-8 |
FDA UNII: | DTD5NUE52Q |
MDL: | MFCD00152747 |
CoE Number: | 36 |
XlogP3-AA: | 0.50 (est) |
Molecular Weight: | 180.20324000 |
Formula: | C10 H12 O3 |
NMR Predictor: | Predict (works with chrome, Edge or firefox) |
EFSA/JECFA Comments: |
At least 98% (sum of 5-hydroxy-2-phenyl-1,3-dioxane and 2-phenyl-4-hydroxymethyl-1,3-dioxalane). (EFSA)
CASrn refers to benzaldehyde glyceryl acetate. Stereoisomeric composition and composition of mixture to be specified. |
Category:flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
Appearance: | colorless to pale yellow clear oily liquid (est) |
Assay: | 98.00 to 100.00 sum of isomers
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Food Chemicals Codex Listed: | Yes |
Boiling Point: | 185.00 °C. @ 20.00 mm Hg
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Boiling Point: | 143.00 to 144.00 °C. @ 2.00 mm Hg
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Acid Value: | 2.00 max. KOH/g
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Flash Point: | 212.00 °F. TCC ( 100.00 °C. )
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logP (o/w): | 1.333 (est) |
Soluble in: |
| alcohol | | water, 1.025e+005 mg/L @ 25 °C (est) |
Insoluble in: |
| water |
Stability: |
| alkalis |
Organoleptic Properties:
Odor Type: fruity |
Odor Strength:medium |
Substantivity:8 hour(s) at 100.00 % |
cherry bitter almond sweet |
Odor Description:at 100.00 %. cherry bitter almond sweet Luebke, William tgsc, (1987) |
Odor sample from: Nickstadt Moeller, Inc. |
musty fruity cherry |
Odor Description:at 100.00 %. Faint musty red fruity with a slight cherry pit nuance Mosciano, Gerard P&F 25, No. 4, 71, (2000) |
Flavor Type: fruity |
musty fruity cherry almond |
Taste Description: at 30.00 - 75.00 ppm. Faint mustiness, mild red fruit with a cherry almond nuance Mosciano, Gerard P&F 25, No. 4, 71, (2000) |
Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
Preferred SDS: View |
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Hazards identification |
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Classification of the substance or mixture |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
Acute toxicity, Oral (Category 4), H302 Skin irritation (Category 2), H315 Eye irritation (Category 2A), H319 Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335
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GHS Label elements, including precautionary statements |
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Pictogram | |
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Signal word | Warning |
Hazard statement(s) |
H302 - Harmful if swallowed H315 - Causes skin irritation H319 - Causes serious eye irritation H335 - May cause respiratory irritation
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Precautionary statement(s) |
P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P271 - Use only outdoors or in a well-ventilated area. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P312 - Call a POISON CENTER or doctor/physician if you feel unwell. P330 - Rinse mouth. P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention. P337 + P313 - IF eye irritation persists: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P403 + P233 - Store in a well-ventilated place. Keep container tightly closed. P405 - Store locked up. P501 - Dispose of contents/ container to an approved waste disposal plant.
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Human Experience: |
4 % solution: no irritation or sensitization. |
Oral/Parenteral Toxicity: |
oral-rat LD50 3749 mg/kg (Levenstein, 1974g)
oral-rat LD50 2750 mg/kg (Moreno, 1980k)
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Dermal Toxicity: |
Not determined
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Inhalation Toxicity: |
Not determined
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Safety in Use Information:
Category: | flavor and fragrance agents |
RIFM Fragrance Material Safety Assessment: Search |
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice |
Recommendation for benzaldehyde glycrol acetal usage levels up to: | | 8.0000 % in the fragrance concentrate.
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Maximised Survey-derived Daily Intakes (MSDI-EU): | 13.00 (μg/capita/day) |
Maximised Survey-derived Daily Intakes (MSDI-USA): | 300.00 (μg/capita/day) |
Structure Class: | I |
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library |
publication number: 3 |
Click here to view publication 3 |
| average usual ppm | average maximum ppm |
baked goods: | - | 73.00000 |
beverages(nonalcoholic): | - | 21.00000 |
beverages(alcoholic): | - | - |
breakfast cereal: | - | - |
cheese: | - | - |
chewing gum: | - | 840.00000 |
condiments / relishes: | - | - |
confectionery froastings: | - | - |
egg products: | - | - |
fats / oils: | - | - |
fish products: | - | - |
frozen dairy: | - | 24.00000 |
fruit ices: | - | 24.00000 |
gelatins / puddings: | - | 100.00000 |
granulated sugar: | - | - |
gravies: | - | - |
hard candy: | - | 110.00000 |
imitation dairy: | - | - |
instant coffee / tea: | - | - |
jams / jellies: | - | - |
meat products: | - | - |
milk products: | - | - |
nut products: | - | - |
other grains: | - | - |
poultry: | - | - |
processed fruits: | - | - |
processed vegetables: | - | - |
reconstituted vegetables: | - | - |
seasonings / flavors: | - | - |
snack foods: | - | - |
soft candy: | - | - |
soups: | - | - |
sugar substitutes: | - | - |
sweet sauces: | - | - |
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
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European Food Safety Authority (EFSA) reference(s):
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Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) on a request from the Commission related to Flavouring Group Evaluation 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23 View page or View pdf
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Flavouring Group Evaluation 54 (FGE.54)[1] - Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20 (2005) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf
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Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23 View page or View pdf
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Flavouring Group Evaluation 54, Revision 1 (FGE.54Rev1): Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20Rev1 (2009) View page or View pdf
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Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf
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Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf
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EPI System: View |
AIDS Citations:Search |
Cancer Citations:Search |
Toxicology Citations:Search |
EPA Substance Registry Services (TSCA):1319-88-6 |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :5463840 |
National Institute of Allergy and Infectious Diseases:Data |
WGK Germany:2 |
(Z)-4-phenylbut-3-ene-1,2,3-triol |
Chemidplus:0001319886 |
RTECS:JI3325000 for cas# 1319-88-6 |
References:
Other Information:
Potential Blenders and core components note
For Odor |
aldehydic |
citrus carbaldehyde FR |
almond |
bitter almond oil replacer FL/FR |
anisic |
ortho- acetanisole FL/FR |
para- acetanisole FL/FR |
ortho- anisaldehyde FL/FR |
balsamic |
2- acetyl furan FL/FR |
benzophenone FR |
benzyl cinnamate FL/FR |
(E)- benzyl tiglate FL/FR |
ethyl cinnamate FL/FR |
fir needle oil siberia FL/FR |
methyl (E)-cinnamate FL/FR |
methyl cinnamate FL/FR |
berry |
raspberry ketone methyl ether FL/FR |
bready |
coffee furanone FL/FR |
furfural FL/FR |
buttery |
3,4- hexane dione FL/FR |
camphoreous |
butyrophenone FL/FR |
caramellic |
geranyl crotonate FR |
maltyl isobutyrate FL/FR |
5- methyl furfural FL/FR |
chocolate |
chocolate pyrazine A FL/FR |
2- methoxy-3-methyl pyrazine FL/FR |
citrus |
citronellyl nitrile FR |
dihydromyrcenol FL/FR |
blood orange oil italy FL/FR |
sweet orange peel oil c.p. brazil FL/FR |
coumarinic |
tonka ketone FR |
earthy |
dibenzyl ether FL/FR |
ethereal |
cyclohexyl formate FL/FR |
iso valeraldehyde propylene glycol acetal FL/FR |
fatty |
(R)-gamma- octalactone FL/FR |
floral |
acetophenone FL/FR |
benzyl acetate FL/FR |
benzyl alcohol FL/FR |
benzyl formate FL/FR |
bois de rose oil brazil FL/FR |
citronellyl acetate FL/FR |
dimethyl anthranilate FL/FR |
ethyl phenyl acetate FL/FR |
heliotropin FL/FR |
linalool FL/FR |
linalool oxide FL/FR |
para- methyl acetophenone FL/FR |
phenethyl acetate FL/FR |
phenyl acetaldehyde diisobutyl acetal FL/FR |
rhodinyl propionate FL/FR |
rose butanoate FL/FR |
para- tolualdehyde propylene glycol acetal FL/FR |
fruity |
allyl 2-ethyl butyrate FL/FR |
allyl amyl glycolate FR |
allyl benzoate FR |
allyl cyclohexyl propionate FL/FR |
allyl hexanoate FL/FR |
allyl isovalerate FL/FR |
3- allyl oxy-1,4-dimethyl bicyclo(3.2.1)octane FR |
almond fragrance FR |
bitter almond oil FL/FR |
almond specialty FR |
iso amyl 2-methyl butyrate FL/FR |
iso amyl acetate FL/FR |
iso amyl butyrate FL/FR |
amyl butyrate FL/FR |
iso amyl isovalerate FL/FR |
para- anisyl propionate FL/FR |
benzaldehyde FL/FR |
benzaldehyde / methyl anthranilate schiff's base FR |
2- benzofuran carboxaldehyde FL/FR |
benzyl propionate FL/FR |
bread thiophene FL/FR |
cherry oxyacetate FL/FR |
cherry pentenoate FL/FR |
cherry propanol FL/FR |
cinnamyl isobutyrate FL/FR |
cyclohexyl acetate FL/FR |
cyclohexyl cinnamate FL/FR |
diethyl malonate FL/FR |
ethyl acetoacetate FL/FR |
4- ethyl benzaldehyde FL/FR |
ethyl benzoyl acetate FL/FR |
ethyl butyrate FL/FR |
ethyl heptanoate FL/FR |
ethyl methyl-para-tolyl glycidate FL/FR |
green acetate FR |
heptyl isobutyrate FL/FR |
hexyl propionate FL/FR |
4- hydroxybenzyl alcohol FL/FR |
3- methyl-2-butenal FL/FR |
propyl isobutyrate FL/FR |
prunus amygdalus amara seed extract FL/FR |
para- tolualdehyde FL/FR |
meta- tolualdehyde FL/FR |
tolualdehyde glyceryl acetal FL/FR |
tolualdehydes (mixed o,m,p) FL/FR |
green |
acetaldehyde ethyl phenethyl acetal FL/FR |
benzaldehyde dimethyl acetal FL/FR |
ethyl (E,Z)-2,4-decadienoate FL/FR |
heptanal dimethyl acetal FL/FR |
(Z)-3- hexen-1-yl 2-methyl butyrate FL/FR |
(Z)-3- hexen-1-yl acetate FL/FR |
(Z)-3- hexen-1-yl butyrate FL/FR |
hexyl 2-methyl butyrate FL/FR |
lilac acetaldehyde FL/FR |
phenyl acetaldehyde diethyl acetal FL/FR |
tiglaldehyde FL/FR |
herbal |
linalyl acetate FL/FR |
laevo- perillaldehyde FL/FR |
viridiflorol FL/FR |
honey |
methyl phenyl acetate FL/FR |
phenyl pyruvic acid FL/FR |
minty |
laevo- carvone FL/FR |
naphthyl |
2,4- dimethyl benzaldehyde FL/FR |
para- methyl anisole FL/FR |
nutty |
3,5- cocoa pyrazine FL/FR |
2- methyl-3-(methyl thio) pyrazine FL/FR |
2- methyl-3-ethoxypyrazine FL/FR |
nutty cyclohexenone FL/FR |
phenolic |
2'- hydroxyacetophenone FL/FR |
methyl benzoate FL/FR |
powdery |
para- anisyl acetate FL/FR |
dibenzyl ketone FL/FR |
spicy |
cassia bark oil china FL/FR |
(E)- cinnamyl isovalerate FL/FR |
cinnamyl isovalerate FL/FR |
(E)-para- methoxycinnamaldehyde FL/FR |
para- methoxycinnamaldehyde FL/FR |
sulfurous |
buchu mercaptan FL/FR |
cassis pentanone FL/FR |
passiflora acetate FL/FR |
sweet |
tonka bean absolute replacer FR |
tonka |
coumarin FR |
dihydrocoumarin replacer FR |
woody |
cedarwood oil western red FR |
4- hydroxybenzaldehyde FL/FR |
For Flavor |
No flavor group found for these |
para- anisyl propionate FL/FR |
butyrophenone FL/FR |
chocolate pyrazine A FL/FR |
chocolate pyrazine B FL |
ethyl 2-phenyl-3-furoate FL |
4- ethyl benzaldehyde FL/FR |
5- ethyl-2-thiophene carboxaldehyde FL |
2,4- heptadien-1-ol FL |
(E,E)-2,4- heptadien-1-ol FL |
2- hexenal FL |
hexyl propionate FL/FR |
(E)-para- methoxycinnamaldehyde FL/FR |
methyl (E)-cinnamate FL/FR |
methyl 2-hydroxy-4-methyl valerate FL |
methyl furfuracrylate FL |
4- methyl salicylaldehyde FL |
2- methyl-3-(methyl thio) pyrazine FL/FR |
2- methyl-3-ethoxypyrazine FL/FR |
(R)-gamma- octalactone FL/FR |
phenyl acetaldehyde diethyl acetal FL/FR |
iso quinoline FL |
tolualdehyde glyceryl acetal FL/FR |
para- tolualdehyde propylene glycol acetal FL/FR |
viridiflorol FL/FR |
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almond extract FL |
almond |
almond |
bitter almond oil replacer FL/FR |
anisic |
para- acetanisole FL/FR |
ortho- anisaldehyde FL/FR |
aromatic |
laevo- perillaldehyde FL/FR |
balsamic |
(E)- benzyl tiglate FL/FR |
ethyl cinnamate FL/FR |
fir needle oil siberia FL/FR |
berry |
heptyl isobutyrate FL/FR |
raspberry ketone methyl ether FL/FR |
bitter |
dibenzyl ketone FL/FR |
3,4- dihydroxybenzaldehyde FL |
methyl ethoxypyrazine FL |
brown |
furfural FL/FR |
5- methyl furfural FL/FR |
buttery |
3,4- hexane dione FL/FR |
caramellic |
almond toffee crunch flavor FL |
almond toffee flavor FL |
cherry |
heliotropin FL/FR |
para- methoxycinnamaldehyde FL/FR |
thenaldehyde FL |
chocolate |
chocolate almond fudge flavor FL |
chocolate toffee almond flavor FL |
mocha almond fudge flavor FL |
citrus |
linalool FL/FR |
blood orange oil italy FL/FR |
sweet orange peel oil c.p. brazil FL/FR |
cocoa |
2- methyl furan FL |
cookie |
almond cookie flavor FL |
creamy |
4- hydroxybenzaldehyde FL/FR |
para- methyl acetophenone FL/FR |
estery |
ethyl acetoacetate FL/FR |
ethereal |
allyl 2-ethyl butyrate FL/FR |
floral |
bois de rose oil brazil FL/FR |
citronellyl acetate FL/FR |
linalyl acetate FL/FR |
methyl phenyl acetate FL/FR |
fruity |
allyl cyclohexyl propionate FL/FR |
allyl hexanoate FL/FR |
allyl isovalerate FL/FR |
bitter almond flavor FL |
bitter almond oil FL/FR |
amaretto flavor FL |
iso amyl 2-methyl butyrate FL/FR |
iso amyl acetate FL/FR |
amyl butyrate FL/FR |
para- anisyl acetate FL/FR |
benzaldehyde FL/FR |
benzyl acetate FL/FR |
benzyl alcohol FL/FR |
benzyl formate FL/FR |
benzyl propionate FL/FR |
bread thiophene FL/FR |
maraschino cherry flavor FL |
cherry laurel oil FL |
cherry oxyacetate FL/FR |
cherry pentenoate FL/FR |
cherry pit flavor FL |
cherry propanol FL/FR |
cinnamyl isobutyrate FL/FR |
cinnamyl isovalerate FL/FR |
(E)- cinnamyl isovalerate FL/FR |
cyclohexyl cinnamate FL/FR |
dibenzyl ether FL/FR |
diethyl malonate FL/FR |
dimethyl anthranilate FL/FR |
ethyl benzoyl acetate FL/FR |
ethyl butyrate FL/FR |
ethyl heptanoate FL/FR |
ethyl methyl-para-tolyl glycidate FL/FR |
2,4- hexadien-1-ol FL |
4- hydroxybenzyl alcohol FL/FR |
lilac acetaldehyde FL/FR |
3- methyl-2-butenal FL/FR |
propyl isobutyrate FL/FR |
rhodinyl propionate FL/FR |
rose butanoate FL/FR |
tiglaldehyde FL/FR |
meta- tolualdehyde FL/FR |
tolualdehydes (mixed o,m,p) FL/FR |
iso valeraldehyde propylene glycol acetal FL/FR |
fusel |
3- methyl-2-butanol FL |
green |
acetaldehyde ethyl phenethyl acetal FL/FR |
iso amyl isovalerate FL/FR |
benzaldehyde dimethyl acetal FL/FR |
cassis pentanone FL/FR |
cyclohexyl formate FL/FR |
dihydromyrcenol FL/FR |
ethyl (E,Z)-2,4-decadienoate FL/FR |
heptanal dimethyl acetal FL/FR |
(Z)-3- hexen-1-yl 2-methyl butyrate FL/FR |
(Z)-3- hexen-1-yl acetate FL/FR |
(Z)-3- hexen-1-yl butyrate FL/FR |
hexyl 2-methyl butyrate FL/FR |
linalool oxide FL/FR |
phenyl acetaldehyde diisobutyl acetal FL/FR |
honey |
ethyl phenyl acetate FL/FR |
phenethyl acetate FL/FR |
jammy |
maltyl isobutyrate FL/FR |
minty |
laevo- carvone FL/FR |
naphthyl |
2,4- dimethyl benzaldehyde FL/FR |
2'- hydroxyacetophenone FL/FR |
para- methyl anisole FL/FR |
nutty |
2- acetyl furan FL/FR |
3- acetyl-2,5-dimethyl thiophene FL |
almond distillates FL |
roasted almond distillates FL |
almond flavor FL |
almond hazelnut flavor FL |
almond isolates FL |
2- benzofuran carboxaldehyde FL/FR |
roasted chestnut almond flavor FL |
3,5(6)- cocoa pyrazine FL |
3,5- cocoa pyrazine FL/FR |
coffee furanone FL/FR |
1- ethyl-2-acetyl pyrrole FL |
2- methoxy-3-methyl pyrazine FL/FR |
nutty cyclohexenone FL/FR |
prunus amygdalus amara seed extract FL/FR |
phenolic |
methyl benzoate FL/FR |
phenyl pyruvic acid FL/FR |
powdery |
ortho- acetanisole FL/FR |
acetophenone FL/FR |
powdery ketone FL |
solvent |
cyclohexyl acetate FL/FR |
spicy |
benzyl cinnamate FL/FR |
cassia bark oil china FL/FR |
methyl cinnamate FL/FR |
para- tolualdehyde FL/FR |
sulfurous |
buchu mercaptan FL/FR |
methyl 2-(methyl thio) butyrate FL |
methyl thiomethyl butyrate FL |
sweet |
2- acetyl-3-methyl thiophene FL |
tropical |
passiflora acetate FL/FR |
waxy |
iso amyl butyrate FL/FR |
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| benzal glyceral acetal | | benzal glycerin | | benzal glyceryl acetal | | benzaldehyde 1,2,3-propane triol cyclic acetal | | benzaldehyde 1,2,3-propanetriol cyclic acetal | | benzaldehyde cyclic acetal with 1,2,3-propane triol | | benzaldehyde cyclic acetal with glycerol | | benzaldehyde glyceral acetal | | benzaldehyde glycerl acetal | | benzaldehyde glycerol acetal | | benzaldehyde glycerol cyclic acetal | | benzaldehyde glyceryl 1,3-cyclic acetal | | benzaldehyde glyceryl acetal | | benzaldehyde glycrol acetal | | benzaldehyde glycryl acetal fcc | | benzaldehyde, cyclic acetal with 1,2,3-propanetriol | | benzaldehyde, cyclic acetal with glycerol | | benzalglycerin | | benzyl glyceryl acetal | | benzylidene glycerol | (Z)-1,3-O- | benzylidene glycerol | | benzylideneglycerol | (Z)-5- | hydroxy-2-phenyl-1,3-dioxane | (Z)-4- | hydroxymethyl-2-phenyl-m-dioxolane | (Z)-4- | hydroxymethyl-2-phenyl-meta-dioxolane | (Z)-4- | phenyl but-3-ene-1,2,3-triol | (Z)-2- | phenyl-1,3-dioxolane-4-methanol | (Z)-2- | phenyl-meta-dioxan-5-ol | (Z)-4- | phenylbut-3-ene-1,2,3-triol |
Articles:
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