Basic information
- CAS
14171-89-2- Standard SMILES
CC(=O)CCCCc1ccccc1- InChIKey
RVHCOKLJDUVNOR-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- 2-Hexanone, 6-phenyl-
- IUPAC
- 6-phenylhexan-2-one
- English name
- 6-Phenyl-hexan-2-one
- Molecular formula
- C12H16O
- Molecular weight
- 176.25
Names & synonyms
2-Hexanone, 6-phenyl-RefChem:4728656-Phenylhexan-2-one14171-89-26-phenyl-hexan-2-one6-PHENYL-2-HEXANONEMFCD090322875BE4G58B24NSC-2108041-Phenylhexane-5-one6-Phenylhexane-2-oneEINECS 238-017-2
Show more names
NSC2108041-PHENYL-5-HEXANONEUNII-5BE4G58B24SCHEMBL1105483SCHEMBL5610656DTXSID20161809PAA17189AKOS010745932
Database identifiers
- CAS
14171-89-2- PubChem CID
- 26530
- DTXSID
DTXSID20161809- UNII
- 5BE4G58B24
- EC Number
- 238-017-2
- Nikkaji
- J121.678C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Boiling point
- 268 · 268-269 °C(Press: 754 Torr)
- Density
- 0.95 · 0.950±0.06 g/cm3(Predicted)
- FDA UNII
- 5 BE4G58B24 · 5BE4G58B24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335-H413
- Precautionary statements
- 261 · P261-P264-P270-P271-P273-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 2-Hexanone, 6-phenyl-
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335-H413
- Precautionary statements
- P261-P264-P270-P271-P273-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers13 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
5 records
Compound notes
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