Basic information
- CAS
19043-02-8- Standard SMILES
C[C@H]1CCCC[C@H]1O- InChIKey
NDVWOBYBJYUSMF-NKWVEPMBSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- cis-2-Methylcyclohexanol
- IUPAC
- cis-(1R,2S)-2-methylcyclohexan-1-ol
Names & synonyms
cis-2-Methylcyclohexanol7443-70-1Cyclohexanol, 2-methyl-, cis-EINECS 231-187-9NSC 100902RefChem:126399231-187-9InChI=1/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1HNDVWOBYBJYUSMF-NKWVEPMBSA-N(1R,2S)-2-methylcyclohexan-1-olcis-2-Methylcyclohexan-1-olrel-(1R,2S)-2-Methylcyclohexanol
Show more names
(1R,2S)-2-methylcyclohexanol19043-02-82-Methyl-cyclohexanolcyclohexanol, 2-methyl-, (1R,2S)-MFCD00064169SCHEMBL43021SCHEMBL5405664SCHEMBL6188707
Database identifiers
- CAS
19043-02-8、7443-70-1- PubChem CID
- 24006
- DTXSID
DTXSID701032695- EC Number
- 231-187-9、803-382-4
- Nikkaji
- J231.798B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70.8
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
H332: Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P271, P304+P340, and P317 (click each P-code to see the statement)
Warning
H226 (14.8%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and Categories
Flam. Liq. 3 (14.8%)
Flam. Liq. 3 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
Related reactions
3 records
Compound notes
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