Eugenyl formate
Basic information
- CAS
10031-96-6- Standard SMILES
C=CCc1ccc(OC=O)c(OC)c1- InChIKey
JUTKIGGQRLHTJN-UHFFFAOYSA-N- Molecular formula
- C11H12O3
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.07864424
Overview
Eugenyl formate is a member of methoxybenzenes.
Names & identifiers
- Preferred name
- Eugenyl formate
- IUPAC
- (2-methoxy-4-prop-2-enylphenyl) formate
- English name
- 4-allyl-2-methoxyphenyl formate
- Molecular formula
- C11H12O3
- Molecular weight
- 192.21
Names & synonyms
EUGENYL FORMATE4-Allyl-2-methoxyphenyl formateEugenol formate4-Allyl-2-methoxyphenol formateFEMA No. 2473FEMA Number 2473Phenol, 4-allyl-2-methoxy-, formate4-(2-Propenyl)-2-methoxyphenyl formateEINECS 233-099-64-(2-Propen-1-yl)-2-methoxyphenyl formatePhenol, 2-methoxy-4-(2-propenyl)-, formateHSDB 2503
Show more names
EUGENYLFORMATEEugenylformiat4-Allyl-2-methoxyphenylformiat(2-methoxy-4-prop-2-enylphenyl) formateFormic acid 2-methoxy-4-allylphenyl esterPhenol, 2-methoxy-4-(2-propen-1-yl)-, 1-formateFormic acid 2-methoxy-4-(2-propenyl)phenyl ester
2-Methoxy-4-(2-propenyl)phenyl formateUNII-USW3U3L49GUSW3U3L49GBRN 32700152-methoxy-4-(prop-2-en-1-yl)phenyl formatePhenol, 4-allyl-2-methoxy-, formate (ester)EUGENYL FORMATE [FHFI]EUGENYL FORMATE [HSDB]
Database identifiers
- CAS
10031-96-6- PubChem CID
- 24835
- DTXSID
DTXSID50143133- ChEBI
CHEBI:173926- UNII
- USW3U3L49G
- EC Number
- 233-099-6
- Nikkaji
- J69.596C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Other Organic Compounds
pHACID VALUE: 0.9 MAX
OdorODOR REMINISCENT OF ORRIS
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
1.1050-1.1090 @ 15 °C
1.115-1.125
Flavoring AgentsEU Flavoring substances
Solubility
SOL 1:2-3.5 IN 80% ALCOHOL
Insoluble in water; Soluble in oils
Soluble (in ethanol)
Boiling Point
270 °C
270.00 °C. @ 760.00 mm Hg
270 °C
Vapor Pressure0.00472 [mmHg]
Refractive Index
INDEX OF REFRACTION: 1.5240-1.5265 @ 20 °C
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 113 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phenol, 2-methoxy-4-(2-propenyl)-, formate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Phenol, 2-methoxy-4-(2-propenyl)-, formate: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] Mild irritant in rabbit eye; [RTECS] Emergency treatment: Eugenol; [HSDB] See Eugenol.
FDA Requirements
Eugenyl formate is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: 1) the quantity added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) when intended for use in or on food it is of appropriate food grade and is prepared and handled as a food ingredient.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety & protection
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Uses
Used as a flavor ingredient in condiments; [HSDB]
IN CONDIMENTS
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information...OFTEN USED IN COMBINATION WITH METHYLIONONES TO YIELD ORRIS-LIKE NOTES.
Applications
UsesEugenyl formate is occasionally used in perfume formulations when variations in the conventional spice theme are desirable. It blends well with the woody notes, but not so attractively with the floral types. Eugenyl forrnate finds a little use in flavor compositions as part of various types of spice blends.
Preparation methods
Preparation4-allyl-2-methoxyphenyl formate is produced by formulation of Eugenol.
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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