1-Benzylcycloheptan-1-ol
Basic information
- CAS
4006-73-9- Standard SMILES
OC1(Cc2ccccc2)CCCCCC1- InChIKey
RTRTUCOUELDWEX-UHFFFAOYSA-N- Molecular formula
- C14H20O
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.15141526
Names & identifiers
- Preferred name
- 1-Benzylcycloheptan-1-ol
- IUPAC
- 1-benzylcycloheptan-1-ol
- English name
- 1-benzylcycloheptan-1-ol
- Molecular formula
- C14H20O
- Molecular weight
- 204.31
Names & synonyms
1-Benzylcycloheptan-1-ol4006-73-9EINECS 223-660-3DTXSID00193123NSC 174143RefChem:430013DTXCID10115614223-660-31-benzylcycloheptanolCycloheptanol,1-(phenylmethyl)-NSC174143SCHEMBL2192517
Show more names
1-(Phenylmethyl)cycloheptanolCycloheptanol, 1-(phenylmethyl)-
RTRTUCOUELDWEX-UHFFFAOYSA-NNSC-174143DS-000271NS00030718
Database identifiers
- CAS
4006-73-9- PubChem CID
- 77624
- DTXSID
DTXSID00193123- EC Number
- 223-660-3
- Nikkaji
- J217.824I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS02
- Signal word
- Danger
- Hazard statements
- 225 · H225-H373-H361-H335-H304-H336-H315
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501-P261-P271-P304+P340-P312-P403+P233-P405-P501-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P260-P314-P501-P264-P280-P302+P352-P321-P332+P313-P362
- REACH Registrations
- Active
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
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P318, P319, P321, P331, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 1-benzylcycloheptan-1-ol (EC: 223-660-3)
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS02
- Hazard statements
- H225-H373-H361-H335-H304-H336-H315
- REACH Registrations
- Active
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501-P261-P271-P304+P340-P312-P403+P233-P405-P501-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P260-P314-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses1-Benzylcycloheptanol is an intermediate in the synthesis of bencyclane fumerate (B132300).
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…