Basic information
- CAS
104-64-3- Standard SMILES
O=COCCCc1ccccc1- InChIKey
AMHRXSOVSAQOKL-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Overview
3-Phenylpropyl formate is a member of benzenes.
Names & identifiers
- Preferred name
- 3-Phenylpropyl formate
- IUPAC
- 3-phenylpropyl formate
- English name
- 3-Phenylpropyl formate
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
3-Phenylpropyl formateHydrocinnamyl formateHydrocinnamyl methanoateBENZENEPROPANOL, FORMATE3-Phenyl-1-propyl formate3-Phenylpropyl methanoateBenzenepropanol, 1-formate1-Phenyl-3-formyloxypropanegamma-Phenylpropylformategamma-Phenylpropyl formate1-Propanol, 3-phenyl-, formateFEMA No. 2895
Show more names
FEMA 2895PHENYLPROPYLFORMATEhydrocinnamylformate3-Phenylpropylformiatbenzenepropanol,formate3-phenyl-1-propylformate3-phenyl-1-propanoformate
.gamma.-PhenylpropylformateNSC 6010EINECS 203-222-8BRN 2501915UNII-6R8500G08YAI3-18532NSC-60106R8500G08Y
Database identifiers
- CAS
104-64-3- PubChem CID
- 61010
- DTXSID
DTXSID40861713- ChEBI
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 117
Experimental & physicochemical properties
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.012-1.019
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water
miscible (in ethanol)
Boiling Point
238.00 °C. @ 760.00 mm Hg
238 °C
Refractive Index1.494-1.499
Physical DescriptionColourless to slightly yellow liquid, pleasant, sweet, floral-herbaceous odour
Physicochemical properties
- Boiling point
- 231.67 °C · 231.67°C (rough estimate)
- Density
- 1.0041 · 1.0041 (rough estimate)
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
This chemical does not meet GHS hazard criteria for 100% (234 of 234) of all reports.
Not Classified
Aggregated GHS information provided per 234 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzenepropanol, formate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzenepropanol, formate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzenepropanol, formate: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Toxicity
- The acute oral LD50 value in rats was reported as 4.09 ml/kg and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Levenstein, 1975).
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 InformationBenzenepropanol, 1-formate: INACTIVE
Applications
OccurrenceHas apparently not been reported to occur in nature.
Uses3-Phenylpropyl formate is used in perfume compositions of the heavy-green type, e. g. Hyacinth, Narcissus, etc., and as a minor supporting note in Chypre or Oriental bases with Geranium, Styrax, Patchouli etc. Its effect is rather heavy and it needs considerable "blending" with light or fresh odorants in order to perform in a pleasant reamer.
Preparation methods
PreparationCold formulation of phenylpropyl alcohol.
Suppliers2 total
上海问彩新材料科技有限公司15721586846 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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