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3,5,5-Trimethyl-2-cyclohexen-1-one
SpectraBase Compound ID ClwX0E72fmw
InChI InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
InChIKey HJOVHMDZYOCNQW-UHFFFAOYSA-N
Mol Weight 138.21 g/mol
Molecular Formula C9H14O
Exact Mass 138.104465 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID H6rszWMBcjJ
Name Isophorone
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Boiling Point 213.5C
CAS Registry Number 78-59-1
Classification SOLVENT
Compound Type Pure
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O
InChI InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
InChIKey HJOVHMDZYOCNQW-UHFFFAOYSA-N
Melting Point -80C
Purity 97%
Safety Data Precautions= RESPIRATORY IRRITANT; LACHRYMATOR; COMBUSTIBLE [LD50=2330 MG/KG]
Sample Description LIQUID
Solubility Soluble in= WATER; MISCIBLE WITH ALCOHOL, CHLOROFORM, ETHER
Synonyms 3,5,5-Trimethyl-2-cyclohexen-1-one
Technique NEAT
Use AS AN INDUSTRIAL SOLVENT; ALSO USED IN THE MANUFACTURE OF VINYL CHLORIDE AND ACETYL CELLULOSE