Basic information
- CAS
17429-36-6- Standard SMILES
CC1(c2ccccc2)C=CC(=O)CC1- InChIKey
NTASQMWLMVNJSS-UHFFFAOYSA-N- Molecular formula
- C13H14O
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.10446507
Names & identifiers
- Preferred name
- 4-Methyl-4-phenylcyclohex-2-en-1-one
- IUPAC
- 4-methyl-4-phenylcyclohex-2-en-1-one
- English name
- 6-Phenyl-6-methyl-1-cyclohexene-3-one
- Molecular formula
- C13H14O
- Molecular weight
- 186.25
Names & synonyms
4-methyl-4-phenylcyclohex-2-en-1-oneRefChem:525302977-808-317429-36-61-Methyl-2,3-dihydro-[1,1'-biphenyl]-4(1H)-one4-methyl-4-phenylcyclohex-2-enoneMFCD000873856-Phenyl-6-methyl-1-cyclohexene-3-one2-Cyclohexen-1-one, 4-methyl-4-phenyl-NSC2509704-Methyl-4-phenyl-2-cyclohexen-1-oneSCHEMBL8873535
Show more names
4-Phenyl-4-methyl-2-cyclohexene-1-one
51020-13-4DTXSID909384894-methyl-4-phenyl-cyclohex-2-en-1-one4-METHYL-4-PHENYL-CYCLOHEX-2-ENONEMFCD000873SAA42936AKOS016844447DS-6977
Database identifiers
- CAS
17429-36-6、51020-13-4- PubChem CID
- 317675
- DTXSID
DTXSID90938489- EC Number
- 977-808-3
- Nikkaji
- J121.621J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 131 · 131-133 °C(Press: 2.0 Torr)
- Density
- 1.041 · 1.041±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2914390090 · 2914390090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2914390090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers13 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
郑州萃智医药科技有限公司19943855286 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
安徽恩特医药科技有限公司18356571950 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海蓝乐鸟实业有限公司15021845385 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
Related reactions
1 records
Compound notes
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