Basic information
- CAS
25144-04-1- Standard SMILES
C[C@@H]1CCC[C@H]1O- InChIKey
BVIJQMCYYASIFP-PHDIDXHHSA-N- Molecular formula
- C6H12O
- Average molar mass
- 100.16 g/mol
- Monoisotopic mass
- 100.088815
Overview
See also: trans-2-Methylcyclopentanol (annotation moved to).
Names & identifiers
- Preferred name
- trans-2-Methylcyclopentan-1-ol
- IUPAC
- trans-(1R,2R)-2-methylcyclopentan-1-ol
- English name
- trans-2-Methylcyclopentanol
- Molecular formula
- C6H12O
- Molecular weight
- 100.16
Names & synonyms
trans-2-Methylcyclopentan-1-ol(1R,2R)-2-methylcyclopentan-1-ol(1R,2R)-2-methylcyclopentanolCyclopentanol, 2-methyl-, (1R,2R)-rel-EINECS 246-652-1Trans-(1S,2S)-2-methylcyclopentan-1-olTrans-2-Methylcylopentanoltrans-2-methyl-cyclopentanolSCHEMBL622091DTXSID00179821trans-2-Methylcyclopentanol,97%trans-2-Methylcyclopentanol, 97%
Show more names
(E)-2-methylcyclopentanoltrans-2-Methylcyclopentanol(1S,2S)-2-methylcyclopentan-1-oltrans-2-Methylcyclopentanol
cyclopentanol, 2-methyl-, (1R,2R)-rac-(1R,2R)-2-methylcyclopentan-1-olTrans-2-Methylcyclopentanol(WX641033)DB-257136NS00027815EN300-1635090InChI=1/C6H12O/c1-5-3-2-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6-/m1/s
Database identifiers
- CAS
25144-04-1- PubChem CID
- 32804
- DTXSID
DTXSID00179821
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 61.2
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
Physicochemical properties
- Melting point
- 17.63 °C · 17.63°C (estimate)
- Boiling point
- 150 · 150-151 °C/740 mmHg (lit.)
- Density
- 0.92 g/mL · 0.92 g/mL at 25 °C (lit.)
- refractive index
- 20 · n 20/D 1.45 (lit.)
- Flash point
- 47 °C · 47 °C - closed cup
- storage temp.
- Flammables area
- pka
- 15.33 · 15.33±0.40(Predicted)
- form
- liquid
- InChI
- 1S/C6H12O/c1-5-3-2-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6-/m1/s1
- InChIKey
- BVIJQMCYYASIFP-PHDIDXHHSA-N
- SMILES
- C[C@@H]1CCC[C@H]1O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
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
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1987 3/PG 3
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H225
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P210-P403+P235
Chemistry & industry
Applications
Usestrans-2-Methylcyclopentanol is one of the constituents of Gynandropsis gynandra oil.
General Descriptiontrans-2-Methylcyclopentanol is one of the constituents of Gynandropsis gynandra oil.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers17 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司
Related reactions
8 records
Compound notes
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