Basic information
- CAS
25870-62-6- Standard SMILES
CCCCC(=O)Cc1ccccc1- InChIKey
DYQAZJQDLPPHNB-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Overview
1-phenyl-2-hexanone is a ketone that is hexylbenzene carrying an oxo group at position 2. It is a ketone and a member of benzenes.
Names & identifiers
- Preferred name
- 1-Phenyl-2-hexanone
- IUPAC
- 1-phenylhexan-2-one
- English name
- 1-Phenyl-2-hexanone
- Molecular formula
- C12H16O
- Molecular weight
- 176.25
Names & synonyms
1-Phenylhexan-2-one25870-62-61-PHENYL-2-HEXANONEBenzyl Butyl KetoneBenzyl n-butyl ketoneEINECS 247-306-2AI3-24765DYQAZJQDLPPHNB-UHFFFAOYSA-CHEBI:145957NSC 153361Phenyl2hexanone2Hexanone, 1phenyl
Show more names
Butylbenzyl ketone1-Phenyl-2-hexanone-95%Benzyl Butyl Ketone >
RefChem:76945247-306-2DYQAZJQDLPPHNB-UHFFFAOYSA-NInChI=1/C12H16O/c1-2-3-9-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H32-Hexanone, 1-phenyl-MFCD000272401-phenyl-hexan-2-onephenyl hexanone
Database identifiers
- CAS
25870-62-6- PubChem CID
- 33191
- DTXSID
DTXSID301315661- ChEBI
CHEBI:145957- EC Number
- 247-306-2
- Nikkaji
- J151.143B
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
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aromatic Ketones
SpringerMaterials PropertiesChemical shift
Physical DescriptionLiquid; [Alfa Aesar MSDS]
Physicochemical properties
- Boiling point
- 153 °C/20mm · 153°C/20mm
- Density
- 0 · 0,94 g/cm3
- refractive index
- 1.501 · 1.5010
- Flash point
- 153 °C/20mm · 153°C/20mm
- storage temp.
- Sealed in dry,Room Temperature
- BRN
- 2044423 · 2044423
- CAS DataBase Reference
- 25870 · 25870-62-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
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
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers36 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
广东百科试剂有限公司13532366769 13686183698 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
Related reactions
9 records
Compound notes
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