Basic information
- CAS
97-45-0- Standard SMILES
C=C(C)C1CC=C(C)C(OC(=O)CC)C1- InChIKey
DFVXNZOMAOGTBL-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- Carvyl propionate, (+-)-
- IUPAC
- (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) propanoate
- English name
- (-)-CARVYL PROPIONATE
- Molecular formula
- C13H20O2
- Molecular weight
- 208.3
Names & synonyms
Carvyl propionate2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, propanoatep-Mentha-1(6),8-dien-2-yl propionate2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl propanoateDTXSID30861702TW615E88E92-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-propanoateRefChem:574758Carvyl propionate, (+-)-DTXCID8081058897-45-0Carvyl propioate
Show more names
FEMA 2251AI3-26372FEMA No. 2251(-)-Carvyl propionateL-(-)-CARVYL PROPIONATEL-(+)-CARVEOL PROPIONATE
Carveol propionatel-Carvyl propionate(-)-Carvyl propioatep-MENTHA-6,8-DIEN-2-OL, PROPIONATEp-Mentha-6,8-dien-2-yl propionatel-p-Mentha-6,8(9)-dien-2-yl propionate2-Methyl-5-(1-methylethenyl)-2-cyclohexenyl propanoate2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, propionate
Database identifiers
- CAS
97-45-0- PubChem CID
- 7336
- DTXSID
DTXSID30861702- EC Number
- 202-583-9
- Nikkaji
- J78.379J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 289
Experimental & physicochemical properties
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.942-0.962
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in alcohol and most fixed oils
(in ethanol)
Boiling Point
78.00 to 80.00 °C. @ 0.20 mm Hg
239 °C
Refractive Index1.469-1.479
Physical Descriptioncolourless slightly oily liquid with a minty-spearminty herbaceous odour
Physicochemical properties
- Boiling point
- 78 · 78-80 °C0.2 mm Hg(lit.)
- Density
- 0.952 g/mL · 0.952 g/mL at 25 °C(lit.)
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% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, propanoate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, propanoate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- OS8525000
- hs_code
- 29155000
- safety_code
- 24/25
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-propanoate: ACTIVE
Applications
Uses(-)-CARVYL PROPIONATE is used as food flavorings. Primarily used in the formulation of spearmint and other spice flavorings.
Preparation methods
PreparationBy esterification of l-carveol with propionic anhydride; also from α-terpinyl propionate.
Upstream & downstream products
Upstream raw materials
Suppliers16 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…