Basic information
- CAS
1007-32-5- Standard SMILES
CCC(=O)Cc1ccccc1- InChIKey
GKDLTXYXODKDEA-UHFFFAOYSA-N- Molecular formula
- C10H12O
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.088815
Overview
has an appetite-enchancing aroma; structure in first source
Names & identifiers
- Preferred name
- 1-Phenyl-2-butanone
- IUPAC
- 1-phenylbutan-2-one
- English name
- 1-Phenyl-2-butanone
- Molecular formula
- C10H12O
- Molecular weight
- 148.2
Names & synonyms
1-Phenylbutan-2-one1-PHENYL-2-BUTANONE1007-32-52-Butanone, 1-phenyl-1AKG6904VPNSC-133447DTXSID60143462RefChem:76942DTXCID8065953213-752-1Benzyl ethyl ketoneethyl benzyl ketone
Show more names
Banzylethylketone1-Phenylbutan-2-on1-Phenylbutane-2-one2-Oxo-1-phenylbutane1-Phenyl-2-butanone>
MFCD00009315phenylbutanone1-phenyl-butan-2-one2-Butanone, phenyl-UNII-1AKG6904VPEINECS 213-752-11-(phenyl)-butanoneNSC 133447
Database identifiers
- CAS
1007-32-5- PubChem CID
- 13879
- DTXSID
DTXSID60143462- UNII
- 1AKG6904VP
- EC Number
- 213-752-1
- Nikkaji
- J1.757D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 123
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 72 · 72-73 °C
- Boiling point
- 109 · 109-112 °C/15 mmHg (lit.)
- Density
- 0.998 g/mL · 0.998 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.512(lit.)
- Flash point
- 195 °F · 195 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- color
- Clear colorless
- BRN
- 1100022 · 1100022
- InChI
- 1S/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
- InChIKey
- GKDLTXYXODKDEA-UHFFFAOYSA-N
- SMILES
- CCC(=O)Cc1ccccc1
- LogP
- 2.279 · 2.279 (est)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 2-Butanone, 1-phenyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29143990
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227-H302
- Precautionary statements
- P210-P264-P270-P280-P301+P312+P330-P370+P378-P403+P235-P501
Chemistry & industry
Applications
Uses1-Phenyl-2-butanone is a building block that has been shown to have sedative activities in mice.
Uses1-Phenyl-2-butanone was used in the preparation of 1-bromo-1-phenyl-2-butanone. It was used as solute to evaluate the hydroxyl group-solvent and carbonyl group-solvent specific interactions in acetonitrile/water mixtures using the alltima C18 stationary phase by HPLC.
Upstream & downstream products
Upstream raw materials
Suppliers83 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [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]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Related reactions
16 records
Compound notes
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