Basic information
- CAS
1551-43-5- Standard SMILES
CCCCC(=O)OC1CCCCC1- InChIKey
YLCHTSSXNSNXSW-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Overview
Cyclohexyl pentanoate is a fatty acid ester.
Names & identifiers
- Preferred name
- Pentanoic acid, cyclohexyl ester
- IUPAC
- cyclohexyl pentanoate
- English name
- CYCLOHEXYL VALERATE
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
Pentanoic acid, cyclohexyl esterRefChem:860004Cyclohexyl valerateCyclohexyl pentanoate1551-43-51-Cyclohexyl pentanoateCyclohexyl n-valerateCyclohexylvalerateValeric acid cyclohexyl esterpentanoic acid cyclohexyl esterEINECS 216-289-3Cyclohexyl pentanoate #
Show more names
4-methylpentanoic acid (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) ester
AI3-06061pentanoicacidcyclohexylesterpentanoicacid,cyclohexylesterCYCLOHEXYL-N-VALERATESCHEMBL1177076SCHEMBL6974477SCHEMBL6974479DTXSID10165811
Database identifiers
- CAS
1551-43-5- PubChem CID
- 73772
- DTXSID
DTXSID10165811- ChEBI
CHEBI:171840- EC Number
- 216-289-3
- Nikkaji
- J160.115F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
SpringerMaterials PropertiesDielectric constant
Boiling Point231.00 to 233.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Boiling point
- 223 · 223-226 °C
- Density
- 0.9349 g/cm3 · 0.9349 g/cm3
- Odor
- 100 % · at 100.00 %. fruity herbal
- Odor Type
- fruity
- LogP
- 3.776 · 3.776 (est)
- CAS DataBase Reference
- 1551 · 1551-43-5
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Pentanoic acid, cyclohexyl ester
Pentanoic acid, cyclohexyl ester: 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.
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Applications
UsesCyclohexyl valerate was found to some used in perfume compositions in floral-fruity fragrance types. Blends well with Ionones, Cyclamal, Geranyl esters, etc., and has a fair tenacity. Comparatively stable in soap.
Preparation methods
PreparationCyclohexyl valerate is produced by direct esterification of Cyclohexanol with n-Valerie acid.
Suppliers17 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
常州金和生物科技有限公司18796930758 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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