Basic information
- CAS
102-22-7- Standard SMILES
CC(C)=CCC/C(C)=C/COC(=O)Cc1ccccc1- InChIKey
UXAIJXIHZDZMSK-FOWTUZBSSA-N- Molecular formula
- C18H24O2
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.17763001
Overview
Geranyl phenylacetate is a carboxylic ester.
Names & identifiers
- Preferred name
- Geranyl phenylacetate
- IUPAC
- [(2E)-3,7-dimethylocta-2,6-dienyl] 2-phenylacetate
- English name
- Geranyl phenylacetate
- Molecular formula
- C18H24O2
- Molecular weight
- 272.38
Names & synonyms
Geranyl phenylacetate102-22-7Phenylacetic acid, geranyl esterGeranyl alpha-toluateGeranyl .alpha.-toluateFEMA No. 2516BENZENEACETIC ACID, 3,7-DIMETHYL-2,6-OCTADIENYL ESTER, (E)-trans-3,7-Dimethyl-2,6-octadienyl phenylacetateEINECS 203-014-7NSC 147477BRN 5033401Acetic acid, phenyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-
Show more names
FEMA 2516Geranyl α-toluateGeranylphenylacetatgeranylalpha-toluateGERANYL PHENYLACETATE FCCphenyl-aceticacigeranylesterGERANYL PHENYLACETATE USP/EP/BP
Benzeneacetic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl esterAI3-2414862A4GG7D57Acetic acid, phenyl-, geranyl esterBenzeneacetic acid, (2E)-3,7-dimethyl-2,6-octadienyl esterNSC-1474773,7-Dimethyl-2,6-octadienyl phenylacetate, (E)-3,7-Dimethyl-2,6-octadienyl benzeneacetate, (E)-
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 342
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Geranyl phenylacetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.971-0.978
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils
1 mL in 4 mL 90% ethanol (in ethanol)
Boiling Point307-308 °C
Refractive Index1.501-1.512
Physical DescriptionYellow liquid; soft sweet honey-like herbaceous odour with floral undertones
Physicochemical properties
- Boiling point
- 278 °C · 278 °C(lit.)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (1596 of 1596) of all reports.
Not Classified
Aggregated GHS information provided per 1596 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzeneacetic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Cease Manufacture Update: 11-08-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20024
Benzeneacetic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Simple esters of geraniol and nerol: Human health tier II assessment
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- CY1595900
- Toxicity
- Both the acute oral LD50 value in rats and the acute dermal UD 50 value in rabbits exceeded 5 g/kg (Russell, 1973).
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 12 - Non Combustible Liquids
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
Chemistry & industry
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzeneacetic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester: ACTIVE
Applications
OccurrenceHas apparently not been reported to occur in nature.
UsesGeranyl Phenylacetate is a flavoring agent that is a yellow liquid with an odor resembling honey and roses. miscible in alcohol, chloro- form, and ether, and insoluble in water, it may contain other iso- meric and closely related terpenic esters. it is obtained by chemical synthesis.
Preparation methods
PreparationBy the esterification of geraniol with phenylacetyl chloride.
Upstream & downstream products
Upstream raw materials
Suppliers39 total
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
Related reactions
1 records
Compound notes
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