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Basic information
- CAS
4994-16-5- Standard SMILES
C1=CCC(c2ccccc2)CC1- InChIKey
XWCWNUSFQVJNDI-UHFFFAOYSA-N- Molecular formula
- C12H14
- Average molar mass
- 158.244 g/mol
- Monoisotopic mass
- 158.10955045
Names & identifiers
- Preferred name
- 4-Phenyl-1-cyclohexene
- IUPAC
- 1,2,3,6-Tetrahydro-1,1'-biphenyl
- English name
- 4-Phenyl-1-cyclohexene
- Molecular formula
- C12H14
- Molecular weight
- 158.24
Names & synonyms
4-PHENYLCYCLOHEXENEBenzene, 3-cyclohexen-1-yl-4-phenylcyclohexen3-Cyclohexenylbenzene4-Phenyl-1-cyclohexene(4-Cyclohexenyl)benzene(3-Cyclohexenyl)benzene3-CYCLOHEXEN-1-YLBENZENE3-cyclohexen-1-yl-benzen4-Phenyl-1-cyclohexene>
Database identifiers
- CAS
4994-16-5- PubChem CID
- 21096
- DTXSID
DTXSID9047176- ChEMBL
CHEMBL3185227- UNII
- CW63R89OW9
- EC Number
- 690-147-2
- Nikkaji
- J80.936E
Properties
Physicochemical properties
- Melting point
- -14 °C · -14 °C
- Boiling point
- 235 °C · 235 °C
- Density
- 0 · 0,97 g/cm3
- refractive index
- 20 · n20/D1.539-1.545
- Flash point
- -14 °C · -14 °C
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform, Methanol (Slightly)
- form
- Oil
- color
- Colourless to Light Yellow
- BRN
- 1930089 · 1930089
- Henry's Law Constant
- 7.9 · 7.9×10-3 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents.
- InChI
- 1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,7-8,12H,6,9-10H2
- InChIKey
- XWCWNUSFQVJNDI-UHFFFAOYSA-N
- SMILES
- C1CC(CC=C1)c2ccccc2
- FDA UNII
- 63 R89OW9 · CW63R89OW9
- EPA Substance Registry System
- 3 · Benzene, 3-cyclohexen-1-yl- (4994-16-5)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 301 · P301+P312+P330
- Hazard Codes
- Xn
Safety & regulation
Safety data
- wgk
- WGK 3
- rtecs
- CZ1301000
- hs_code
- 2902.90.9000
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Applications
Uses4-Phenyl-1-cyclohexene is a volatile organic compound which may display the biological ability to reduce renal oxidative stress.
Suppliers43 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海艾梯西生物科技有限公司18721763493
医恩医疗系统研发（上海）有限公司021-58958002 18930822973 · [email protected]
上海毕楷科技有限公司18516304666
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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