Basic information
- CAS
24070-77-7- Standard SMILES
CC1CCCC1O- InChIKey
BVIJQMCYYASIFP-UHFFFAOYSA-N- Molecular formula
- C6H12O
- Average molar mass
- 100.16 g/mol
- Monoisotopic mass
- 100.088815
Names & identifiers
- Preferred name
- 2-Methylcyclopentanol
- IUPAC
- 2-methylcyclopentan-1-ol
- English name
- 2-Methylcyclopentanol
- Molecular formula
- C6H12O
- Molecular weight
- 100.16
Names & synonyms
2-METHYLCYCLOPENTANOLCyclopentanol, 2-methyl-RefChem:476029607-314-224070-77-72-methylcyclopentan-1-ol2-Methyl cyclopentanolMFCD000661622-Methylcyclopentyl alcohol2-Methycyclopentanol2-methyl-1-cyclopentanolSCHEMBL317096
Show more names
Cis-andtrans-isomeresCIS-2-METHYLCYCLOPENTANOLMethylcyclopentanolcistrans2-METHYLCYCLOPENTANOL CIS AND TRANS2-Methylcyclopentanol, cis + trans, 98%
SCHEMBL609233SCHEMBL2293332SCHEMBL46129442-METHYLCYCLOPENTANOL-1SCHEMBL11487847DTXSID208651332-Methylcyclopentanol, AldrichCPR2-Methylcyclopentanol, cis + trans
Database identifiers
- CAS
24070-77-7- PubChem CID
- 32205
- DTXSID
DTXSID20865133- EC Number
- 607-314-2
- Nikkaji
- J100.727K
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
Physicochemical properties
- Melting point
- 100 · 100-101 °C
- Boiling point
- 182 · 182-185 °C(Press: 20 Torr)
- Density
- 0.9158 g/cm3 · 0.9158 g/cm3(Temp: 16 °C)
- pka
- 15.33 · 15.33±0.40(Predicted)
- form
- solid
- InChI
- 1S/C6H12O/c1-5-3-2-4-6(5)7/h5-7H,2-4H2,1H3
- InChIKey
- BVIJQMCYYASIFP-UHFFFAOYSA-N
- SMILES
- CC1CCCC1O
- LogP
- 1.291 · 1.291 (est)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H332-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312
- Risk Statements
- 36 · 36/37/38
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
H302 (88.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (88.1%)
Safety data
- wgk
- WGK 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H332-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers25 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
泰州葛林美克医药科技有限公司15366892466 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
Related reactions
13 records
Compound notes
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