Isophorone[异佛尔酮]

CAS:78-59-1

SKU： NCC.78.59.1 分类： [Flavor raw materials/香料原料]

保证安全结账

描述

CAS Registry Number^®

78-59-1

CAS Name

Isophorone

Molecular Formula

C₉H₁₄O

Molecular Mass

138.21

Compound Properties

Boiling Point (1)

215.32 °C
Melting Point (1)

-8.1 °C
Density (1)

0.9255 g/cm³ @ Temp: 20 °C

Source(s)

(1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3

InChIKey

InChIKey=HJOVHMDZYOCNQW-UHFFFAOYSA-N

SMILES

CC1(C)CC(C)=CC(=O)C1

Canonical SMILES

O=C1C=C(C)CC(C)(C)C1

Other Names for this Substance

2-Cyclohexen-1-one, 3,5,5-trimethyl-
3,5,5-Trimethyl-2-cyclohexen-1-one
Isoacetophorone
Isophorone
1,1,3-Trimethyl-3-cyclohexene-5-one
3,5,5-Trimethyl-2-cyclohexene-1-one
Isoforon
Isophoron
α-Isophoron
3,5,5-Trimethyl-2-cyclohexenone
α-Isophorone
1-Cyclohexen-3-one, 1,5,5-trimethyl-
1,5,5-Trimethyl-3-oxocyclohexene
NSC 403657
NSC 4881