Basic information
- CAS
29474-12-2- Standard SMILES
CC(C)C(O)C1CCCCC1- InChIKey
DZNUOUOIPRQTTB-UHFFFAOYSA-N- Molecular formula
- C10H20O
- Average molar mass
- 156.26 g/mol
- Monoisotopic mass
- 156.15141526
Names & identifiers
- Preferred name
- Cimepanol
- IUPAC
- 1-cyclohexyl-2-methylpropan-1-ol
- English name
- cimepanol
- Molecular formula
- C10H20O
- Molecular weight
- 156.267
Names & synonyms
Cimepanol29474-12-2Cimepanol [INN]Cimepanolumalpha-IsopropylcyclohexanemethanolCimepanolum [INN-Latin]1-Cyclohexyl-isobutylalkohol1-Cyclohexyl-2-methylpropanol1R7T67JP3GCyclohexanemethanol, .alpha.-(1-methylethyl)-EINECS 249-661-9DTXSID20885452
Show more names
BilidiaCimepanoleCyclohexylmethylpropanolα-Isopropylcyclohexanemethanolα-(1-Methylethyl)cyclohexanemethanolCyclohexanemethanol, α-(1-methylethyl)-
Cyclohexanemethanol, alpha-(1-methylethyl)-Cimepanolum (INN-Latin)RefChem:577141DTXCID501024832249-661-91-cyclohexyl-2-methylpropan-1-olUNII-1R7T67JP3GSCHEMBL364779
Database identifiers
- CAS
29474-12-2- PubChem CID
- 65765
- DTXSID
DTXSID20885452- ChEMBL
CHEMBL2106472- UNII
- 1R7T67JP3G
- EC Number
- 249-661-9
- Nikkaji
- J21.578C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Boiling point
- 102 · 102-104 °C(Press: 20 Torr)
- Density
- 0.903 · 0.903±0.06 g/cm3(Predicted)
- pka
- 15.1 · 15.10±0.20(Predicted)
- FDA UNII
- 1 R7T67JP3G · 1R7T67JP3G
- EPA Substance Registry System
- Cyclohexanemethanol, .alpha.-(1-methylethyl)- (29474-12-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanemethanol, .alpha.-(1-methylethyl)-: INACTIVE
Suppliers5 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [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
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