Basic information
- CAS
942-92-7- Standard SMILES
CCCCCC(=O)c1ccccc1- InChIKey
MAHPVQDVMLWUAG-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- Hexanophenone
- IUPAC
- 1-phenylhexan-1-one
- English name
- Hexanophenone
- Molecular formula
- C12H16O
- Molecular weight
- 176.25
Names & synonyms
Hexanophenone942-92-71-Hexanone, 1-phenyl-n-Hexanophenonen-Amylphenyl ketoneNSC 8480EINECS 213-394-6AI3-01378DTXSID4061335RefChem:146255DTXCID0048925213-394-6
Show more names
N-AMYL PHENYL KETONEphenylhexanoneHexanophenone>Hexanophenone 99%
MAHPVQDVMLWUAG-UHFFFAOYSA-NCaprophenone1-phenylhexan-1-one1-Phenyl-1-hexanoneAmyl phenyl ketoneHexaphenonePentyl phenyl ketoneMFCD00009512
Database identifiers
- CAS
942-92-7- PubChem CID
- 70337
- DTXSID
DTXSID4061335- UNII
- MJ3QJ7YH7A
- EC Number
- 213-394-6
- Nikkaji
- J30.881A
Properties
Computed structural properties
- XLogP
- 3.5
- 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
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 25 · 25-26 °C (lit.)
- Boiling point
- 265 °C · 265 °C (lit.)
- Density
- 0.958 g/mL · 0.958 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5105(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Liquid After Melting
- color
- Clear light yellow
- BRN
- 1908667 · 1908667
- InChI
- InChI=1S/C12H16O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3
- InChIKey
- MAHPVQDVMLWUAG-UHFFFAOYSA-N
- SMILES
- C(C1=CC=CC=C1)(=O)CCCCC
- LogP
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
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29143900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Hexanone, 1-phenyl-: ACTIVE
Applications
UsesCaprophenone is an inhibitor of carbonyl reductase activity in pig’s heart cytosol. A useful research chemical.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 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]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.
Related reactions
7 records
Compound notes
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