Basic information
- CAS
2408-20-0- Standard SMILES
C=CCOC(=O)CC- InChIKey
XRFWKHVQMACVTA-UHFFFAOYSA-N- Molecular formula
- C6H10O2
- Average molar mass
- 114.14 g/mol
- Monoisotopic mass
- 114.06807956
Overview
Allyl propionate is a carboxylic ester.
Names & identifiers
- Preferred name
- Allyl propionate
- IUPAC
- prop-2-enyl propanoate
- English name
- ALLYL PROPIONATE
- Molecular formula
- C6H10O2
- Molecular weight
- 114.14
Names & synonyms
ALLYL PROPIONATEAllyl propanoatePropanoic acid, 2-propenyl esterPropionic acid, allyl ester2-Propenyl propanoateprop-2-en-1-yl propanoateFEMA No. 2040Allyl n-propionatePropanoic acid, 2-propen-1-yl esterNSC 7620EINECS 219-307-8UNII-0OYW8C5029
Show more names
FEMA 2040prop-2-enyl propanoateALLYL PROPIONATE 99+%propionicacidallylesterAllyl propionate USP/EP/BP
AI3-244780OYW8C5029NSC-7620ALLYL PROPIONATE [FCC]C2H5C(O)OCH2CH=CH2ALLYL PROPIONATE [FHFI]DTXSID0047668Propionic acid, allyl ester (8CI)
Database identifiers
- CAS
2408-20-0- PubChem CID
- 61319
- DTXSID
DTXSID0047668- ChEBI
CHEBI:166457- UNII
- 0OYW8C5029
- EC Number
- 219-307-8
- Nikkaji
- J95.039D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 86.5
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (Allyl propionate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.914 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Point
124.00 to 125.00 °C. @ 760.00 mm Hg
122-123 °C
Refractive Index1.4105
Physical DescriptionColourless liquid with a sharp sour apple/apricot odour
Physicochemical properties
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1564 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
Hazard information
Regulatory Information
Chemical: Propanoic acid, 2-propenyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: Allyl propionate (EC: 219-307-8)
Propanoic acid, 2-propenyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Aliphatic allyl esters: Human health tier II assessment
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Acute toxicity (ingestion) - category 3
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3272 3/PG 3
- risk_code
- 10-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- hazard_code
- Xi
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationPropanoic acid, 2-propen-1-yl ester: ACTIVE
Preparation methods
PreparationBy direct esterification of the acid with allyl alcohol in benzene solution in the presence of concentrated H2SO4, or of p-toluene sulfonic acid.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers20 total
Hebei baicao biology science and technology co., ltd+86-19131911055 17824879454 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
Syntechem Co.,Ltd
Related reactions
4 records
Compound notes
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