Basic information
- CAS
6243-10-3- Standard SMILES
CCCCCC(=O)OC1CCCCC1- InChIKey
DTNOERNOMHQUCN-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- Cyclohexyl hexanoate
- IUPAC
- cyclohexyl hexanoate
- English name
- Cyclohexyl hexanoate
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
Cyclohexyl hexanoate6243-10-3Cyclohexyl caproateHexanoic acid, cyclohexyl esterCyclohexyl n-hexanoateV3B77J8GNHNSC-53960UNII-V3B77J8GNHDTXSID20211474EINECS 228-354-3NSC 53960AI3-06044
Show more names
Cyclohexylhexanoate,99%
RefChem:129680DTXCID20133965228-354-3DTNOERNOMHQUCN-UHFFFAOYSA-NHexanoic acid cyclohexyl esterMFCD00046356SCHEMBL163812SCHEMBL7689415
Database identifiers
- CAS
6243-10-3- PubChem CID
- 80388
- DTXSID
DTXSID20211474- UNII
- V3B77J8GNH
- EC Number
- 228-354-3
- Nikkaji
- J160.116D
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 160
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Physicochemical properties
- Boiling point
- 125 °C · 125 °C(Press: 7 Torr)
- Density
- 0.9263 g/cm3 · 0.9263 g/cm3
- solubility
- Practically insoluble in water, soluble in alcohol and oils
- color
- Colorless liquid
- Odor
- 100 % · at 100.00 %. fruity pineapple
- Odor Type
- fruity
- LogP
- 4.286 · 4.286 (est)
- FDA UNII
- 3 B77J8GNH · V3B77J8GNH
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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 InformationHexanoic acid, cyclohexyl ester: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- risk_code
- 22
- hazard_code
- Xn
Chemistry & industry
Applications
UsesFinds some use in perfume compositions as part of a fruity top note in modern mossy aldehydic fragrance types. Used in flavor compositions for imitation Apple, Pineapple, Brandy, Cognac, Arak, etc.
Suppliers12 total
陕西缔都新材料有限公司029-63373950 17392216152 · [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]
菏泽博纳医药科技有限公司15865805009 · [email protected]
许昌峰飞新材料科技有限公司19713077352; 19713077352 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
河南奥诗曼生物科技有限公司13761588971 17719817155 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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