CAS 6975-85-5 2-Butanone, 4-methoxy- (HCID 138889)

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Basic information

CAS: 6975-85-5
Standard SMILES: COCCC(C)=O
InChIKey: DRWOJIIXBYNGGW-UHFFFAOYSA-N
Molecular formula: C5H10O2
Average molar mass: 102.13 g/mol
Monoisotopic mass: 102.06807956

Names & identifiers

Preferred name: 2-Butanone, 4-methoxy-
IUPAC: 4-methoxybutan-2-one
English name: 4-Methoxy-2-butanone
Molecular formula: C5H10O2
Molecular weight: 102.13

Names & synonyms

6975-85-52-Butanone, 4-methoxy-DTXSID60220045NSC 20545RefChem:85937DTXCID60142536DRWOJIIXBYNGGW-UHFFFAOYSA-NInChI=1/C5H10O2/c1-5(6)3-4-7-2/h3-4H2,1-2H4-methoxybutan-2-one4-Methoxy-2-butanone4-methoxy-butan-2-oneMFCD08704277

Show more names

4-methoxybutan-2-one(SALTDATA: FREE)

NSC205451-methoxybutan-3-oneMethyl 2-methoxyethyl ketone4-Methoxybutane-2-one4-methoxy-2 -butanone4-Methoxy-2-butanone #SCHEMBL268362methyl beta-methoxyethyl ketone

Database identifiers

CAS: 6975-85-5
PubChem CID: 138889
DTXSID: DTXSID60220045
EC Number: 620-150-6
Nikkaji: J147.220H

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 59.1

Physicochemical properties

Boiling point: 114 °C · 114 °C
Density: 0.9182 g/cm3 · 0.9182 g/cm3(Temp: 27 °C)
storage temp.: 2 · 2-8°C
Appearance: Yellow to brown Liquid
InChI: InChI=1S/C5H10O2/c1-5(6)3-4-7-2/h3-4H2,1-2H3
InChIKey: DRWOJIIXBYNGGW-UHFFFAOYSA-N
SMILES: CC(=O)CCOC
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.