| Name: | methyl (2E,4Z)-deca-2,4-dienoate |
| CAS Number: | 4493-42-9 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 224-787-7 |
| FDA UNII: | WX3M6126GD |
| Beilstein Number: | 1723201 |
| XlogP3-AA: | 3.60 (est) |
| Molecular Weight: | 182.26286000 |
| Formula: | C11 H18 O2 |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
| EFSA/JECFA Comments: |
| According to the JECFA: Min. assay value is "93 %" and secondary components "(E,E) methyl 2,4-decadienoate". CASrn in Register refers to the (2E,4Z)-enantiomer. Register name to be changed to Methyl (E,Z)-deca-2,4-dienoate.
CASrn refers to (2E, 4Z)-isomer. Material in commerce is min. 93 % pure (2E,4Z)-isomer. Min. Purity > 95 % (sum of isomers: other isomer mainly (2E,4E)-isomer (< 5%))(EFFA, 2010a). Registed name to ge changed to Methyl (E,Z)-deca-2,4-dienoate. |
Category:flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 93.50 to 100.00 sum of isomers
|
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.91700 to 0.92300 @ 25.00 °C.
|
| Pounds per Gallon - (est).: | 7.630 to 7.680
|
| Refractive Index: | 1.48800 to 1.49400 @ 20.00 °C.
|
| Boiling Point: | 105.00 °C. @ 2.00 mm Hg
|
| Boiling Point: | 246.00 to 247.00 °C. @ 760.00 mm Hg
|
| Vapor Pressure: | 0.028000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 230.00 °F. TCC ( 110.00 °C. )
|
| logP (o/w): | 3.986 (est) |
| Soluble in: |
| | alcohol | | | water, 26.5 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor Type: fruity |
| fruity waxy pear lemon |
| Odor Description:at 100.00 %. fruity waxy pear lemon |
| Odor and/or flavor descriptions from others (if found). |
| Bedoukian Research |
| METHYL 2,4-DECADIENOATE |
Odor Description:A fruity waxy pear-like odor with a slight lemon connotation
Used in various fragrance compositions for it\'s mild fruitiness. |
Cosmetic Information:
Suppliers:
Safety Information:
| Preferred SDS: View |
| European information : |
| Most important hazard(s): | | Xi - Irritant |
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
|
| |
| 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. |
| Oral/Parenteral Toxicity: |
|
Not determined
|
| 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 methyl (E,Z)-2,4-decadienoate usage levels up to: | | | 3.0000 % in the fragrance concentrate.
|
| |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.097 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 1.00 (μg/capita/day) |
| Threshold of Concern: | 1800 (μg/person/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: 18 |
| Click here to view publication 18 |
| | average usual ppm | average maximum ppm |
| baked goods: | 1.00000 | 10.00000 |
| beverages(nonalcoholic): | 0.20000 | 2.00000 |
| beverages(alcoholic): | 0.40000 | 4.00000 |
| breakfast cereal: | - | - |
| cheese: | - | - |
| chewing gum: | 10.00000 | 50.00000 |
| condiments / relishes: | - | - |
| confectionery froastings: | - | - |
| egg products: | - | - |
| fats / oils: | - | - |
| fish products: | - | - |
| frozen dairy: | - | - |
| fruit ices: | 1.00000 | 10.00000 |
| gelatins / puddings: | - | - |
| granulated sugar: | - | - |
| gravies: | - | - |
| hard candy: | 2.00000 | 20.00000 |
| imitation dairy: | - | - |
| instant coffee / tea: | 0.40000 | 4.00000 |
| jams / jellies: | 2.00000 | 20.00000 |
| meat products: | - | - |
| milk products: | 1.00000 | 10.00000 |
| nut products: | - | - |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | 0.40000 | 4.00000 |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | - | - |
| snack foods: | - | - |
| soft candy: | 2.00000 | 20.00000 |
| 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):
|
Flavouring Group Evaluation 70 (FGE.70): Consideration of aliphatic, alicyclic, linear, alpha,beta-unsaturated, di- and trienals and related alcohols, acids and esters evaluated by JECFA (61st meeting)
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87.
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 70, Revision 1 (FGE.70Rev1): consideration of aliphatic, linear, a,ß-unsaturated, di- and trienals and related alcohols, acids and esters evaluated by JECFA (61st-68th-69th meeting)
View page or View pdf
|
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):4493-42-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6436336 |
| National Institute of Allergy and Infectious Diseases:Data |
| methyl (2E,4Z)-deca-2,4-dienoate |
| Chemidplus:0004493429 |
References:
Other Information:
Potential Blenders and core components note
| For Odor |
| dairy |
methyl butyl phenyl acetate
FL/FR |
| fatty |
allyl octanoate
FL/FR |
iso butyl undecylenate
FL/FR |
| floral |
citronellyl propionate
FL/FR |
gelsone (IFF)
FL/FR |
(E)- geranyl acetone
FL/FR |
geranyl hexanoate
FL/FR |
jasmin absolute egypt (from concrete)
FL/FR |
methyl citronellate
FL/FR |
octyl acetate
FL/FR |
| fruity |
allyl 10-undecenoate
FL/FR |
allyl heptanoate
FL/FR |
iso amyl isobutyrate
FL/FR |
iso amyl octanoate
FL/FR |
decyl butyrate
FL/FR |
ethyl (E)-4-octenoate
FR |
ethyl hexanoate
FL/FR |
3- hexanone
FL/FR |
(Z)-3- hexen-1-yl 2-methyl-2-pentenoate
FR |
hexyl propionate
FL/FR |
3- mercaptohexyl acetate
FL/FR |
methyl 2-octenoate
FL/FR |
methyl nonanoate
FL/FR |
(E)-2- nonen-1-yl acetate
FL/FR |
(Z)-3- octen-1-yl propionate
FL/FR |
octyl butyrate
FL/FR |
2- undecanone
FL/FR |
| green |
ethyl (E,Z)-2,4-decadienoate
FL/FR |
ethyl (E)-2-decenoate
FL/FR |
ethyl (E)-4-decenoate
FL/FR |
(E)-2- hexen-1-yl acetate
FL/FR |
(Z)-3- hexen-1-yl hexanoate
FL/FR |
(E)-2- hexen-1-yl isovalerate
FL/FR |
(Z)-3- hexen-1-yl propionate
FL/FR |
hexyl 2-methyl butyrate
FL/FR |
hexyl phenyl acetate
FL/FR |
3,6- nonadien-1-yl acetate
FL/FR |
(E,Z)-3,6- nonadien-1-yl acetate
FL/FR |
3- octyl formate
FL/FR |
| herbal |
butyl levulinate
FL/FR |
| musk |
iso ambrettolide
FL/FR |
musk propanoate
FR |
| vegetable |
1- furfuryl pyrrole
FL/FR |
| waxy |
allyl nonanoate
FL/FR |
3- decanone
FL/FR |
dihydrocitronellyl acetate
FL/FR |
ethyl decanoate
FL/FR |
ethyl palmitate
FL/FR |
heptyl octanoate
FL/FR |
(E)-2- octen-1-yl butyrate
FL/FR |
octyl 2-methyl butyrate
FL/FR |
propyl decanoate
FL/FR |
(E)-2- tridecen-1-yl acetate
FL/FR |
| For Flavor |
| No flavor group found for these |
allyl 10-undecenoate
FL/FR |
iso butyl undecylenate
FL/FR |
3- decanone
FL/FR |
dihydrocitronellyl acetate
FL/FR |
hexyl propionate
FL/FR |
methyl 2-octenoate
FL/FR |
4- methyl pentyl 4-methyl valerate
FL |
(E)-2- octen-1-yl butyrate
FL/FR |
propyl decanoate
FL/FR |
(E)-2- tridecen-1-yl acetate
FL/FR |
| coconut |
| coconut |
(R)- massoia lactone
FL |
| dairy |
methyl butyl phenyl acetate
FL/FR |
| fatty |
allyl octanoate
FL/FR |
ethyl (E)-4-decenoate
FL/FR |
| floral |
citronellyl propionate
FL/FR |
(E)- geranyl acetone
FL/FR |
jasmin absolute egypt (from concrete)
FL/FR |
methyl citronellate
FL/FR |
| fruity |
allyl heptanoate
FL/FR |
iso amyl isobutyrate
FL/FR |
iso amyl octanoate
FL/FR |
decyl butyrate
FL/FR |
ethyl (E)-2-decenoate
FL/FR |
ethyl hexanoate
FL/FR |
geranyl hexanoate
FL/FR |
3- hexanone
FL/FR |
hexyl phenyl acetate
FL/FR |
(Z)-3- octen-1-yl propionate
FL/FR |
| green |
ethyl (E,Z)-2,4-decadienoate
FL/FR |
gelsone (IFF)
FL/FR |
(E)-2- hexen-1-yl acetate
FL/FR |
(Z)-3- hexen-1-yl hexanoate
FL/FR |
(E)-2- hexen-1-yl isovalerate
FL/FR |
(Z)-3- hexen-1-yl propionate
FL/FR |
(E)-3- hexenoic acid
FL |
hexyl 2-methyl butyrate
FL/FR |
methyl 2-undecynoate
FL |
(E,Z)-3,6- nonadien-1-yl acetate
FL/FR |
3,6- nonadien-1-yl acetate
FL/FR |
| herbal |
butyl levulinate
FL/FR |
| musk |
iso ambrettolide
FL/FR |
| tropical |
3- mercaptohexyl acetate
FL/FR |
| vegetable |
1- furfuryl pyrrole
FL/FR |
| waxy |
allyl nonanoate
FL/FR |
ethyl decanoate
FL/FR |
ethyl palmitate
FL/FR |
heptyl octanoate
FL/FR |
(E)-2- nonen-1-yl acetate
FL/FR |
octyl 2-methyl butyrate
FL/FR |
octyl acetate
FL/FR |
octyl butyrate
FL/FR |
3- octyl formate
FL/FR |
2- undecanone
FL/FR |
| winey |
methyl nonanoate
FL/FR |
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| 2,4- | decadienoic acid, methyl ester, (2E,4Z)- | | 2,4- | decadienoic acid, methyl ester, (E,Z)- | | | methyl (2E,4Z)-2,4-decadienoate | | | methyl (2E,4Z)-deca-2,4-dienoate | | | methyl (E,Z)-deca-2,4-dienoate | | | methyl (E)-2-(Z)-4-decadienoate | | (E,Z)- | methyl 2,4-decadienoate | | | methyl pear decadienoate | | | methyl trans-2,cis-4-decadienoate |
Articles:
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