Basic information
- CAS
15840-96-7- Standard SMILES
O=C(OC1CCCCC1)C1CCCCC1- InChIKey
VJCWGXGMXAVKJU-UHFFFAOYSA-N- Molecular formula
- C13H22O2
- Average molar mass
- 210.31 g/mol
- Monoisotopic mass
- 210.16197994
Names & identifiers
- Preferred name
- Cyclohexyl cyclohexanecarboxylate
- IUPAC
- cyclohexyl cyclohexanecarboxylate
- English name
- cyclohexyl cyclohexanecarboxylate
- Molecular formula
- C13H22O2
- Molecular weight
- 210.31
Names & synonyms
Cyclohexyl cyclohexanecarboxylate15840-96-7Cyclohexanecarboxylic acid, cyclohexyl esterEINECS 239-945-0AI3-04802DTXSID80166416NSC 406680RefChem:129676DTXCID6088907239-945-0VJCWGXGMXAVKJU-UHFFFAOYSA-NMFCD20528371
Show more names
Cyclohexyl CyclohexaCyclohexanecarboxylic acid cyclohexyl ester
CyclohexylCyclohexanecarboxylatecyclohexyl cyclohexanoateVYL4CF44GXNSC-406680SCHEMBL170007VJCWGXGMXAVKJU-SCHEMBL4931699SCHEMBL11181516
Database identifiers
- CAS
15840-96-7- PubChem CID
- 85137
- DTXSID
DTXSID80166416- UNII
- VYL4CF44GX
- EC Number
- 239-945-0
- Nikkaji
- J114.028K
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Melting point
- 171 · 171-172 °C
- Boiling point
- 273.6 · 273.6±8.0 °C(Predicted)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- LogP
- 4.3 · 4.300 (est)
- FDA UNII
- 4 CF44GX · VYL4CF44GX
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesCyclohexyl Cyclohexanecarboxylate is used in the preparation of carboxylic acid esters and lactones from alcohols and acids in presence of benzoic acid anhydride derivatives.
Suppliers38 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Aladdin Scientific[email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
扬州瑞宏生物科技有限公司0514-015380367604 15380367604 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…