Allyl 10-undecenoate
Basic information
- CAS
7493-76-7- Standard SMILES
C=CCCCCCCCCC(=O)OCC=C- InChIKey
VJOZUTGJXVDWDJ-UHFFFAOYSA-N- Molecular formula
- C14H24O2
- Average molar mass
- 224.34 g/mol
- Monoisotopic mass
- 224.17763
Overview
Allyl undecylenate is a fatty acid ester.
Names & identifiers
- Preferred name
- Allyl 10-undecenoate
- IUPAC
- prop-2-enyl undec-10-enoate
- English name
- ALLYL UNDECYLENATE
- Molecular formula
- C14H24O2
- Molecular weight
- 224.34
Names & synonyms
7493-76-7ALLYL 10-UNDECENOATE10-Undecenoic acid, 2-propenyl esterAllyl undec-10-enoate10-Undecenoic acid, allyl ester2-Propenyl 10-undecenoateFEMA No. 2044QM7A7RN7O910-Undecenoic acid, 2-propen-1-yl esterEINECS 231-337-3NSC 62647NSC-62647
Show more names
FEMA 2044allyl 10-undec-10-enoateprop-2-enyl undec-10-enoateALLYL UNDECYLENATE USP/EP/BP10-undecenoicacid,2-propenylester
AI3-22365DTXSID8064723ALLYL 10-UNDECENOATE [FHFI]10-Undecenoic acid, allyl ester (8CI)Allyl 10-undecenylateRefChem:554779DTXCID2047721Allyl undecylenate
Database identifiers
- CAS
7493-76-7- PubChem CID
- 61412
- DTXSID
DTXSID8064723- ChEBI
CHEBI:171789- UNII
- QM7A7RN7O9
- EC Number
- 231-337-3
- Nikkaji
- J307.836A
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 197
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.8802 (30 °C)
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water, soluble in ethanol, propylene glycol and organic solvents
(in ethanol)
Boiling Point
180.00 °C. @ 30.00 mm Hg
180 °C (30mm Hg)
Refractive Index1.448 (30 °C)
Physical DescriptionColourless oily liquid with a fatty coconut/pineapple odour and a rum-like background
Physicochemical properties
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: 10-Undecenoic acid, 2-propenyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
10-Undecenoic acid, 2-propenyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Safety data
- tsca
- TSCA listed
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information10-Undecenoic acid, 2-propen-1-yl ester: INACTIVE
Applications
UsesFatty Pineapple-like, sweet (in extreme dilution), nutlike taste, reminiscent of Cocoabean and Coconut. Rarely, if ever, used in perfumes. Useful in flavor compositions of fruity Rum type, nutty-coconutty imitation flavors, etc. Concentration will usually be a few ppm or less in the finished consumer product.
Preparation methods
PreparationBy azeotropic distillation of a benzene solution of the corresponding acid and allyl alcohol in the presence of naphthaleneβ-sulfonic acid.
Upstream & downstream products
Upstream raw materials
Additional notes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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