Basic information
- CAS
531-26-0- Standard SMILES
C=CCc1ccc(OC(=O)c2ccccc2)c(OC)c1- InChIKey
ZOGNBLKDKPCKGB-UHFFFAOYSA-N- Molecular formula
- C17H16O3
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.10994437
Overview
Eugenyl benzoate is a carbonyl compound.
Names & identifiers
- Preferred name
- Eugenyl benzoate
- IUPAC
- (2-methoxy-4-prop-2-enylphenyl) benzoate
- English name
- 4-allyl-2-methoxyphenyl benzoate
- Molecular formula
- C17H16O3
- Molecular weight
- 268.31
Names & synonyms
Eugenyl benzoateEugenol benzoate4-Allyl-2-methoxyphenyl benzoate531-26-0Benzoyl eugenolp-Eugenol, benzoateFEMA No. 2471PHENOL, 2-METHOXY-4-(2-PROPENYL)-, BENZOATEPhenol, 4-allyl-2-methoxy-, benzoatePhenol, 2-methoxy-4-(2-propen-1-yl)-, 1-benzoateYRO21E9Z352-Methoxy-4-(2-propenyl)phenyl benzoate
Show more names
benzoyleugenolBENZOIC ACID EUGENYLESTER(SG)2-Methoxy-4-(2-propenyl)phenol benzoate(2-methoxy-4-prop-2-enylphenyl) benzoate(2-methoxy-4-prop-2-enyl-phenyl) benzoatebenzoic acid (4-allyl-2-methoxy-phenyl) ester
EINECS 208-504-4NSC 408913NSC-408913AI3-23236EUGENYL BENZOATE [FHFI]DTXSID70862132Phenol, 4-allyl-2-methoxy-, benzoate (8CI)RefChem:596899
Database identifiers
- CAS
531-26-0- PubChem CID
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 320
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; Soluble in oils
Soluble (in ethanol)
Boiling Point360.00 °C. @ 760.00 mm Hg
Melting Point69 - 70 °C
Physical Description
Solid
Colourless crystalline solid; Balsamic aroma with and undertone reminiscent of clove
Physicochemical properties
- FEMA
- 2471 · 2471 | EUGENYL BENZOATE
- FLAVIS Number
- 9.766 · 09.766 | Eugenyl benzoate
- solubility
- Insoluble in water, soluble in hot alcohol and many oils, but poorly soluble in cold alcohol.
- color
- White or almost white crystalline powder or colorless crystals.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Phenol, 2-methoxy-4-(2-propenyl)-, benzoate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Phenol, 2-methoxy-4-(2-propenyl)-, benzoate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPhenol, 2-methoxy-4-(2-propen-1-yl)-, 1-benzoate: INACTIVE
Applications
UsesThe very mild balsamic-spicy odour of great tenacity and warm underlines. The spicy notes are more pronounced in older material. Freshly prepared material may be almost odourless. This material finds little use in perfume compositions, but its poor volubility is a disadvantage. Of the related materials, it seems that Benzyl-iso-eugenol is the one which has caught the most attraction to perfumers. Eugenol benzoate finds some use in flavour compositions, e.g., various spice and fruit complexes. Its low evaporation rate makes it suitable for fixation in flavours for baked goods, etc.
Suppliers11 total
成都彼样生物科技有限公司18108052721 · [email protected]
Aladdin Scientific[email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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