4'-Ethylacetophenone

HCID 13642CAS 937-30-4

Substructure search Find similar structures

Basic information

Standard SMILES: CCc1ccc(C(C)=O)cc1
InChIKey: NODGRWCMFMEGJH-UHFFFAOYSA-N
Molecular formula: C10H12O
Average molar mass: 148.2 g/mol
Monoisotopic mass: 148.088815

Names & identifiers

Preferred name: 4'-Ethylacetophenone
IUPAC: 1-(4-ethylphenyl)ethanone
English name: 4-Ethylacetophenone
Molecular formula: C10H12O
Molecular weight: 148.2

Names & synonyms

4'-Ethylacetophenone4-ETHYLACETOPHENONEp-EthylacetophenoneEthanone, 1-(4-ethylphenyl)-Acetophenone, 4'-ethyl-p-Acetylethylbenzenep-Ethylphenyl methyl ketone1-acetyl-4-ethylbenzeneLSA7B53YDONSC 6768NSC-6768EINECS 213-326-5

Show more names

ASISCHEM D29258AKOS BBS-000043944ETHYL ACTOPHENONE4-ETHYL-1-ACETYLBENZENE

UNII-LSA7B53YDOAI3-08507DTXSID5061326RefChem:95976DTXCID6048880Acetophenone, 4'-ethyl-(8CI)NODGRWCMFMEGJH-UHFFFAOYSA-N937-30-4

Database identifiers

CAS: 937-30-4
PubChem CID: 13642
DTXSID: DTXSID5061326
ChEBI: CHEBI:195891
UNII: LSA7B53YDO
EC Number: 213-326-5
Nikkaji: J30.876E

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 132

Physicochemical properties

Melting point: 20.6 °C · −20.6 °C(lit.)
Boiling point: 125 °C20 · 125 °C20 mm Hg(lit.)
Density: 0.993 g/mL · 0.993 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5293(lit.)
Flash point: 195 °F · 195 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Oil
color: Clear Colourless
Specific Gravity: 0.993 · 0.993
Odor: 1 % · at 1.00 % in dipropylene glycol. floral hawthorn
Odor Type: floral
Water Solubility: Not miscible or difficult to mix in water. Soluble in alcohol.
BRN: 1906029 · 1906029
Cosmetics Ingredients Functions: PERFUMING
LogP: 2.507 · 2.507 (est)
CAS DataBase Reference: 937 · 937-30-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 7 B53YDO · LSA7B53YDO
NIST Chemistry Reference: 1 · Ethanone, 1-(4-ethylphenyl)-(937-30-4)
EPA Substance Registry System: p-Ethylacetophenone (937-30-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227
Precautionary statements: 210 e-P280a-P370+P378a-P403+P235-P501a · P210e-P280a-P370+P378a-P403+P235-P501a
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29143990 · 29143990

Safety & regulation

Safety data

wgk: 3
tsca: TSCA listed
hs_code: 29143990
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Hazard statements: H227
Precautionary statements: P210e-P280a-P370+P378a-P403+P235-P501a

Chemistry & industry

Applications · 3 items

UsesIt can be used to produce 1,1'-p-phenylene-bis-ethanone. This reaction will need reagent air, cobalt naphthenate. The reaction temperature is 125°C.

UsesIntermediates of Liquid Crystals

General Description4-Ethylacetophenone is one of the attractive components of a carob-peanut extract that elicited a positive behavioral response from Oryzaephilus surinamensis, S. granarius and C. ferrugineus.