Basic information
- CAS
613-36-5- Standard SMILES
COc1ccc(C2CCCCC2)cc1- InChIKey
YJJPDZNZPQKZGC-UHFFFAOYSA-N- Molecular formula
- C13H18O
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.1357652
Names & identifiers
- Preferred name
- 1-Cyclohexyl-4-methoxybenzene
- IUPAC
- 1-cyclohexyl-4-methoxybenzene
- English name
- 1-Cyclohexyl-4-methoxy-benzene
- Molecular formula
- C13H18O
- Molecular weight
- 190.28
Names & synonyms
1-cyclohexyl-4-methoxybenzene4-CyclohexylanisoleDTXSID50976786RefChem:431708DTXCID101404153653-563-5613-36-51-cyclohexyl-4-methoxy-benzenep-CyclohexylanisoleNSC63384-CyclohexylanisolEnamine_000138
Show more names
LABOTEST-BB LT002391881-Methoxy-4-cyclohexylbenzene4-Methoxy-1-cyclohexylbenzene4-Cyclohexyl-1-methoxybenzene3-(4-Methoxyphenyl)cyclohexaneBenzene, 1-cyclohexyl-4-methoxy-
(4-Methoxyphenyl)cyclohexaneSCHEMBL1992931SCHEMBL2089543SCHEMBL3487617SCHEMBL4067375SCHEMBL4119330SCHEMBL7703942SCHEMBL12015211
Database identifiers
- CAS
613-36-5- PubChem CID
- 221526
- DTXSID
DTXSID50976786- EC Number
- 653-563-5
- Nikkaji
- J95.549C
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers5 total
安徽合诺生物科技有限公司18455579438
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
禹州焓碳医药科技有限公司19963477321; 19963477321 · [email protected]
Related reactions
1 records
Compound notes
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