Basic information
- CAS
5454-79-5- Standard SMILES
C[C@@H]1CCC[C@H](O)C1- InChIKey
HTSABYAWKQAHBT-RQJHMYQMSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Overview
See also: cis-3-METHYLCYCLOHEXANOL (annotation moved to).
Names & identifiers
- Preferred name
- (1S,3R)-3-methylcyclohexan-1-ol
- IUPAC
- cis-(1S,3R)-3-methylcyclohexan-1-ol
- English name
- cis-3-Methylcyclohexanol
- Molecular formula
- C7H14O
- Molecular weight
- 114.19
Names & synonyms
(1S,3R)-3-methylcyclohexan-1-ol24965-92-2cis-3-Methylcyclohexan-1-olCyclohexanol, 3-methyl-, (1S,3R)-NSC-23234NSC23234Cyclohexanol, 3-methyl-, (1R,3S)-rel-cis 3-methylcyclohexanol3-Methylcyclohexanol, cis-F5DX44R3ZVSCHEMBL440952SCHEMBL20494981
Show more names
cis-3-Methylcyclohexanol3-methyl cyclohexanol, cisCyclohexanol, 3-methyl-, cis-rel-(1s,3r)-3-methylcyclohexan-1-ol
(1S)-cis-3-methyl-cyclohexanolMFCD00067155AKOS025294994AT46788G18858EN300-7236649
Database identifiers
- CAS
5454-79-5- PubChem CID
- 229503
- UNII
- F5DX44R3ZV
- Nikkaji
- J231.793A
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
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- -5.5 °C · -5.5°C
- Boiling point
- 163.73 °C · 163.73°C (estimate)
- Density
- 0.911 · 0.9110
- refractive index
- 1.4752 · 1.4752
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 15.32 · 15.32±0.40(Predicted)
- CAS DataBase Reference
- 5454 · 5454-79-5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers10 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
南京今冉生物新材料科技有限公司+86-025-58218501; 19941513806 · [email protected]
上海腾渤医药科技有限公司021-54338626 18017892860 · [email protected]
杭州文德阶生物科技有限公司0571-86706360 18158111080 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
Related reactions
1 records
Compound notes
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