Basic information
- CAS
1124-63-6- Standard SMILES
OCCCC1CCCCC1- InChIKey
CLYAQFSQLQTVNO-UHFFFAOYSA-N- Molecular formula
- C9H18O
- Average molar mass
- 142.24 g/mol
- Monoisotopic mass
- 142.1357652
Names & identifiers
- Preferred name
- 3-Cyclohexyl-1-propanol
- IUPAC
- 3-cyclohexylpropan-1-ol
- English name
- 3-Cyclohexyl-1-propanol
- Molecular formula
- C9H18O
- Molecular weight
- 142.24
Names & synonyms
3-Cyclohexylpropan-1-ol3-Cyclohexyl-1-propanol1124-63-63-cyclohexylpropanolDTXSID0047244KJB3VO906FNSC-20787DTXCID8027244RefChem:1067662214-401-5CyclohexanepropanolMFCD00001528
Show more names
Relebactam Impurity 23-CYCLOHEXYLPROPANOL-1DECAHYDROCINNAMALDEHYDE3-Cyclohexyl-1-propanol>
3-Hydroxypropylcyclohexane3-Cyclohexylpropyl alcoholCyclohexanepropanol-Cyclohexane-1-propanolUNII-KJB3VO906FNSC20787EINECS 214-401-5Cyclohexylpropyl alcohol
Database identifiers
- CAS
1124-63-6- PubChem CID
- 70763
- DTXSID
DTXSID0047244- ChEMBL
CHEMBL3184665- UNII
- KJB3VO906F
- EC Number
- 214-401-5
- Nikkaji
- J203.364J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 74.8
Physicochemical properties
- Melting point
- -60 °C · -60 °C
- Boiling point
- 218 °C · 218 °C(lit.)
- Density
- 0.937 g/mL · 0.937 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.466(lit.)
- Flash point
- 215 °F · 215 °F
- storage temp.
- Store at room temperature
- form
- Viscous Liquid
- pka
- 15.19 · 15.19±0.10(Predicted)
- color
- Clear colorless
- InChI
- 1S/C9H18O/c10-8-4-7-9-5-2-1-3-6-9/h9-10H,1-8H2
- InChIKey
- CLYAQFSQLQTVNO-UHFFFAOYSA-N
- SMILES
- OCCCC1CCCCC1
- LogP
- 2.93 · 2.930 (est)
- FDA UNII
- 3 VO906F · KJB3VO906F
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29061900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
Uses3-Cyclohexyl-1-propanol was used in synthesis of 3-cyclohexylpropyl caffeate via trans-esterification by Candida antarctica lipase B.
Upstream & downstream products
Downstream products
Suppliers67 total
上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
24 records
Compound notes
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