Basic information
- CAS
1944-01-0- Standard SMILES
OC1(Cc2ccccc2)CCCCC1- InChIKey
FELACZRZMOTSPB-UHFFFAOYSA-N- Molecular formula
- C13H18O
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.13576519
Names & identifiers
- Preferred name
- 1-Benzylcyclohexan-1-ol
- IUPAC
- 1-benzylcyclohexan-1-ol
- English name
- 1-benzylcyclohexan-1-ol
- Molecular formula
- C13H18O
- Molecular weight
- 190.28
Names & synonyms
1-Benzylcyclohexan-1-olCyclohexanol, 1-(phenylmethyl)-EINECS 217-740-7AI3-05558DTXSID10173072NSC 113513NSC 406777RefChem:430014DTXCID3095563217-740-71-benzylcyclohexanol1944-01-0
Show more names
1-(phenylmethyl)cyclohexan-1-ol1-(phenylmethyl)-1-cyclohexanol
MFCD00155242NSC-113513NSC-4067771-(Phenylmethyl)cyclohexanolbenzylcyclohexanolNSC4067771-benzyl-cyclohexan-1-olCambridge id 5152534
Database identifiers
- CAS
1944-01-0- PubChem CID
- 74753
- DTXSID
DTXSID10173072- UNII
- T5T2GNY756
- EC Number
- 217-740-7
- Nikkaji
- J199.760B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 57.5 · 57.5-58.5 °C
- Boiling point
- 160 °C · 160 °C(Press: 20 Torr)
- Density
- 1.056 · 1.056±0.06 g/cm3(Predicted)
- pka
- 15.31 · 15.31±0.20(Predicted)
- FDA UNII
- 5 T2GNY756 · T5T2GNY756
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335-H412
- Precautionary statements
- 261 · P261-P273-P280-P305+P351+P338
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, 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 67 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 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H315-H318-H335-H412
- Precautionary statements
- P261-P273-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Compound notes
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