Basic information
- CAS
22679-54-5- Standard SMILES
CC(C)(C)c1ccc(C(=O)c2ccccc2)cc1- InChIKey
DFYJCXSOGSYMAJ-UHFFFAOYSA-N- Molecular formula
- C17H18O
- Average molar mass
- 238.32 g/mol
- Monoisotopic mass
- 238.13576519
Names & identifiers
- Preferred name
- 4-tert-Butylbenzophenone
- IUPAC
- (4-tert-butylphenyl)-phenylmethanone
- English name
- 4-tert-Butylbenzophenone
- Molecular formula
- C17H18O
- Molecular weight
- 238.32
Names & synonyms
4-tert-Butylbenzophenone22679-54-54-(t-Butyl)benzophenone4-tert-Butyl-benzophenoneEINECS 245-154-1DTXSID90177210Methanone, (4-(1,1-dimethylethyl)phenyl)phenyl-Methanone, [4-(1,1-dimethylethyl)phenyl]phenyl-RefChem:100514DTXCID3099701245-154-1DFYJCXSOGSYMAJ-UHFFFAOYSA-N
Show more names
4-tert-Butylbenzophenone97%4-tert-Butylbenzophenone 97%4-(1,1-Dimethylethyl)benzophenone
(4-(tert-Butyl)phenyl)(phenyl)methanone(4-tert-butylphenyl)-phenylmethanoneMFCD00017255(4-tert-Butylphenyl)(phenyl)methanone4-tert.-butylbenzophenoneSCHEMBL195282SCHEMBL292259994-(tert-butyl)phenyl phenyl ketone
Database identifiers
- CAS
22679-54-5- PubChem CID
- 89790
- DTXSID
DTXSID90177210- EC Number
- 245-154-1
- Nikkaji
- J286.270K
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 38 · 38-40°C
- Boiling point
- 168 · 168-170°C 2mm
- Density
- 1.017 · 1.017±0.06 g/cm3(Predicted)
- Flash point
- 150 °C · 150°C
- form
- solid
- BRN
- 2100075 · 2100075
- InChI
- InChI=1S/C17H18O/c1-17(2,3)15-11-9-14(10-12-15)16(18)13-7-5-4-6-8-13/h4-12H,1-3H3
- InChIKey
- DFYJCXSOGSYMAJ-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(C(C)(C)C)C=C1)(C1=CC=CC=C1)=O
- CAS DataBase Reference
- 22679 · 22679-54-5(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 2914500090
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 22-24/25-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers25 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
郑州济成化学技术有限公司15639929870 15639929870 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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