Name: | (2-methylphenyl)methanediol; propane-1,2,3-triol |
CAS Number: | 1333-09-1 | 3D/inchi
|
FDA UNII: | Search |
CoE Number: | 46 |
Molecular Weight: | 230.26046000 |
Formula: | C11 H18 O5 |
NMR Predictor: | Predict (works with chrome, Edge or firefox) |
EFSA/JECFA Comments: |
40% 5-hydroxydioxane; 60% 5-hydroxymethyldioxalane. (EFSA)
CASrn refers to named substance. 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 clear viscous liquid (est) |
Assay: | 95.00 to 100.00 sum of isomers
|
Additional Assay Information: | sum of o,m,p isomers |
Food Chemicals Codex Listed: | No |
Boiling Point: | 292.00 °C. @ 760.00 mm Hg
|
Boiling Point: | 160.00 °C. @ 10.00 mm Hg
|
Acid Value: | 1.00 max. KOH/g
|
Vapor Pressure: | 0.010100 mmHg @ 25.00 °C. (est) |
Flash Point: | 249.00 °F. TCC ( 120.56 °C. )
|
logP (o/w): | 0.467 (est) |
Soluble in: |
| alcohol | | water, slightly | | water, 1.535e+005 mg/L @ 25 °C (est) |
Insoluble in: |
| water |
Organoleptic Properties:
Odor Type: fruity |
almond bitter almond |
Odor Description:at 10.00 % in dipropylene glycol. mild bitter almond |
Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
|
Hazards identification |
|
Classification of the substance or mixture |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
None found. |
GHS Label elements, including precautionary statements |
|
Pictogram | |
|
Hazard statement(s) |
None found. |
Precautionary statement(s) |
None found. |
Human Experience: |
10 % solution: no irritation or sensitization. |
Oral/Parenteral Toxicity: |
oral-rat LD50 3400 mg/kg (Moreno, 1972i)
|
Dermal Toxicity: |
Not determined
|
Inhalation Toxicity: |
Not determined
|
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 tolualdehyde glyceryl acetal usage levels up to: | | 0.5000 % in the fragrance concentrate.
|
|
Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) |
Maximised Survey-derived Daily Intakes (MSDI-USA): | 1.00 (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: | 12.00000 | 15.00000 |
beverages(nonalcoholic): | 0.08000 | 6.00000 |
beverages(alcoholic): | - | - |
breakfast cereal: | - | - |
cheese: | - | - |
chewing gum: | - | - |
condiments / relishes: | - | - |
confectionery froastings: | - | - |
egg products: | - | - |
fats / oils: | - | - |
fish products: | - | - |
frozen dairy: | 6.00000 | 8.00000 |
fruit ices: | 6.00000 | 8.00000 |
gelatins / puddings: | - | - |
granulated sugar: | - | - |
gravies: | - | - |
hard candy: | 12.00000 | 15.00000 |
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...
|
European Food Safety Authority (EFSA) reference(s):
|
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
|
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
|
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
|
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
|
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
|
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
|
EPI System: View |
AIDS Citations:Search |
Cancer Citations:Search |
Toxicology Citations:Search |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :6451245 |
National Institute of Allergy and Infectious Diseases:Data |
(2-methylphenyl)methanediol; propane-1,2,3-triol |
Chemidplus:0001333091 |
References:
Other Information:
Potential Blenders and core components note
For Odor |
almond |
bitter almond oil replacer FL/FR |
anisic |
ortho- acetanisole FL/FR |
ortho- anisaldehyde FL/FR |
balsamic |
2- acetyl furan FL/FR |
benzyl cinnamate FL/FR |
methyl (E)-cinnamate FL/FR |
methyl cinnamate FL/FR |
berry |
wild berry fragrance FR |
raspberry ketone methyl ether FL/FR |
bready |
furfural FL/FR |
buttery |
3,4- hexane dione FL/FR |
camphoreous |
butyrophenone FL/FR |
caramellic |
geranyl crotonate FR |
chocolate |
chocolate cherry fragrance FR |
chocolate pyrazine A FL/FR |
2- methoxy-3-methyl pyrazine FL/FR |
ethereal |
cyclohexyl formate FL/FR |
floral |
acetophenone FL/FR |
phenyl acetaldehyde diisobutyl acetal FL/FR |
stephanotis flower absolute replacer FR |
para- tolualdehyde propylene glycol acetal FL/FR |
fruity |
allyl 2-ethyl butyrate FL/FR |
allyl benzoate FR |
allyl isovalerate FL/FR |
almond fragrance FR |
bitter almond oil FL/FR |
almond specialty FR |
iso amyl 2-methyl butyrate FL/FR |
amyl butyrate FL/FR |
para- anisyl propionate FL/FR |
apricot almond fragrance FR |
benzaldehyde FL/FR |
benzaldehyde / methyl anthranilate schiff's base FR |
benzaldehyde glycrol acetal FL/FR |
2- benzofuran carboxaldehyde FL/FR |
bread thiophene FL/FR |
cherry fragrance FR |
black cherry fragrance FR |
sour cherry fragrance FR |
wild cherry fragrance FR |
cherry oxyacetate FL/FR |
cherry pentenoate FL/FR |
cherry propanol FL/FR |
cinnamyl isobutyrate FL/FR |
cyclohexyl cinnamate FL/FR |
4- ethyl benzaldehyde FL/FR |
ethyl benzoyl acetate FL/FR |
ethyl methyl-para-tolyl glycidate FL/FR |
heptyl isobutyrate FL/FR |
4- hydroxybenzyl alcohol FL/FR |
3- methyl-2-butenal FL/FR |
prunus cerasus fruit oil CO2 extract FL/FR |
para- tolualdehyde FL/FR |
meta- tolualdehyde FL/FR |
tolualdehydes (mixed o,m,p) FL/FR |
green |
benzaldehyde dimethyl acetal FL/FR |
(Z)-2- penten-1-ol FL/FR |
phenyl acetaldehyde diethyl acetal FL/FR |
herbal |
laevo- perillaldehyde FL/FR |
honey |
methyl phenyl acetate FL/FR |
phenyl pyruvic acid FL/FR |
minty |
methyl 5-methyl salicylate FR |
naphthyl |
2,4- dimethyl benzaldehyde 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 |
cinnamyl isovalerate FL/FR |
cinnamyl propionate FL/FR |
para- methoxycinnamaldehyde FL/FR |
(E)-para- methoxycinnamaldehyde 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- hexenal FL |
(E)-para- methoxycinnamaldehyde FL/FR |
methyl (E)-cinnamate FL/FR |
methyl furfuracrylate FL |
4- methyl salicylaldehyde FL |
2- methyl-3-(methyl thio) pyrazine FL/FR |
2- methyl-3-ethoxypyrazine FL/FR |
phenyl acetaldehyde diethyl acetal FL/FR |
para- tolualdehyde propylene glycol acetal FL/FR |
almond |
almond |
bitter almond oil replacer FL/FR |
anisic |
ortho- anisaldehyde FL/FR |
aromatic |
laevo- perillaldehyde FL/FR |
berry |
heptyl isobutyrate FL/FR |
raspberry ketone methyl ether FL/FR |
bitter |
dibenzyl ketone FL/FR |
brown |
furfural FL/FR |
buttery |
3,4- hexane dione FL/FR |
cherry |
para- methoxycinnamaldehyde FL/FR |
ethereal |
allyl 2-ethyl butyrate FL/FR |
floral |
cinnamyl propionate FL/FR |
methyl phenyl acetate FL/FR |
fruity |
allyl isovalerate FL/FR |
bitter almond oil FL/FR |
iso amyl 2-methyl butyrate FL/FR |
amyl butyrate FL/FR |
para- anisyl acetate FL/FR |
benzaldehyde FL/FR |
benzaldehyde glycrol acetal FL/FR |
bread thiophene FL/FR |
cherry laurel oil FL |
cherry oxyacetate FL/FR |
cherry pentenoate FL/FR |
cherry propanol FL/FR |
cinnamyl isobutyrate FL/FR |
cinnamyl isovalerate FL/FR |
cyclohexyl cinnamate FL/FR |
ethyl benzoyl acetate FL/FR |
ethyl methyl-para-tolyl glycidate FL/FR |
2,4- hexadien-1-ol FL |
4- hydroxybenzyl alcohol FL/FR |
3- methyl-2-butenal FL/FR |
prunus cerasus fruit oil CO2 extract FL/FR |
meta- tolualdehyde FL/FR |
tolualdehydes (mixed o,m,p) FL/FR |
green |
benzaldehyde dimethyl acetal FL/FR |
cyclohexyl formate FL/FR |
(Z)-2- penten-1-ol FL/FR |
phenyl acetaldehyde diisobutyl acetal FL/FR |
naphthyl |
2,4- dimethyl benzaldehyde FL/FR |
2'- hydroxyacetophenone FL/FR |
nutty |
2- acetyl furan FL/FR |
2- benzofuran carboxaldehyde FL/FR |
3,5(6)- cocoa pyrazine FL |
3,5- cocoa pyrazine FL/FR |
2- methoxy-3-methyl pyrazine FL/FR |
nutty cyclohexenone FL/FR |
phenolic |
methyl benzoate FL/FR |
phenyl pyruvic acid FL/FR |
powdery |
ortho- acetanisole FL/FR |
acetophenone FL/FR |
powdery ketone FL |
spicy |
benzyl cinnamate FL/FR |
methyl cinnamate FL/FR |
para- tolualdehyde FL/FR |
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
2-ortho,meta,para- | cresyl-5-hydroxydioxane | p- | cresyl-5-hydroxydioxane | 2-ortho,meta,para- | cresyl-5-hydroxymethyl dioxolane | 2-o,m,p- | cresyl-5-hydroxymethyldioxolane | 2-ortho,meta,para- | cresyl-5-hydroxymethyldioxolane | (2- | methylphenyl)methanediol; propane-1,2,3-triol | 1,2,3- | propane triol cyclic ether with (2-methyl phenyl) methane diol | 1,2,3- | propanetriol cyclic ether with (2-methylphenyl)methanediol | 1,2,3- | propanetriol, cyclic ether with (2-methylphenyl)methanediol | | tolualdehyde glyceryl acetal (mixed isomers) | | tolyl aldehyde glyceryl acetal |
Articles:
|