Basic information
- CAS
38134-57-5- Standard SMILES
O[13CH]1CCCCC1- InChIKey
HPXRVTGHNJAIIH-PTQBSOBMSA-N- Molecular formula
- C6H12O
- Average molar mass
- 101.15 g/mol
- Monoisotopic mass
- 101.09216984
Names & identifiers
- Preferred name
- Cyclohexanol-1-13C
- IUPAC
- (113C)cyclohexanol
- English name
- CYCLOHEXANOL-1-13C
- Molecular formula
- C6H12O
- Molecular weight
- 101.17
Names & synonyms
Cyclohexanol-1-13CRefChem:580700686-140-9(113C)cyclohexanol38134-57-5Cyclohexyl alcohol-1-13C(1-~13~C)CyclohexanolSCHEMBL1331910DTXSID50584027AKOS015913121Cyclohexanol-1-13C, 99 atom % 13C
Database identifiers
- CAS
38134-57-5- PubChem CID
- 16213541
- DTXSID
DTXSID50584027- EC Number
- 686-140-9
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
- 46.1
Physicochemical properties
- Melting point
- 20 · 20-22 °C(lit.)
- Boiling point
- 160 · 160-161 °C(lit.)
- Density
- 0.957 g/mL · 0.957 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.465(lit.)
- Flash point
- 154 °F · 154 °F
- InChI
- 1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2/i6+1
- InChIKey
- HPXRVTGHNJAIIH-PTQBSOBMSA-N
- SMILES
- O[13CH]1CCCCC1
- UNSPSC Code
- 12352202 · 12352202
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H332-H302-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362
- target organs
- Respiratory system
- Hazard Codes
- Xn
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 20/22-37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37-24/25
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H332-H302-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers5 total
广州伟伯科技有限公司[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA—
先进技术工业有限公司[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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