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I18709

Sigma-Aldrich

Isophorone

97%

Synonym(s):

3,5,5-Trimethyl-2-cyclohexen-1-one

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About This Item

Empirical Formula (Hill Notation):
C9H14O
CAS Number:
78-59-1
Molecular Weight:
138.21
Beilstein/REAXYS Number:
1280721
EC Number:
201-126-0
MDL number:
MFCD00001584
UNSPSC Code:
12352100
PubChem Substance ID:
24895951
NACRES:
NA.22
form:
liquid
assay:
97%

vapor density

4.77 (vs air)

Quality Level

200

vapor pressure

0.2 mmHg ( 20 °C)

assay

97%

form

liquid

autoignition temp.

864 °F

expl. lim.

3.8 %

refractive index

n20/D 1.476 (lit.)

bp

213-214 °C (lit.)

mp

−8 °C (lit.)

density

0.923 g/mL at 25 °C (lit.)

SMILES string

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

InChI

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

InChI key

HJOVHMDZYOCNQW-UHFFFAOYSA-N

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pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Carc. 2 - Eye Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 1

flash_point_f

204.8 °F - closed cup

flash_point_c

96.0 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKCR3249
MKCP0684
MKCC9506
MKBR6536V
MKBG2442V

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Isophorone diisocyanate 98%, mixture of isomers

Sigma-Aldrich

317624

Isophorone diisocyanate

Iodomethane purum, ≥99.0% (GC)

Sigma-Aldrich

67692

Iodomethane

Shilpa C Mhadgut et al.
Chemical communications (Cambridge, England), (8)(8), 984-985 (2004-04-08)
The sonochemical asymmetric hydrogenation of isophorone (3,3,5-trimethyl-2-cyclohexenone) by proline-modified Pd/Al2O3 catalysts is described; presonication of a commercial Pd/Al2O3-proline catalytic system resulted in highly enhanced enantioselectivities (up to 85% ee).
Mourad Daoubi et al.
Journal of agricultural and food chemistry, 53(15), 6035-6039 (2005-07-21)
Diisophorone (1) was tested against two strains of the necrotrophic plant pathogen Botrytis cinerea. Fungal sensitivity varied according to the strain. B. cinera 2100 was more sensitive than B. cinereaUCA992: its mycelial growth was significantly inhibited at concentrations of 50
Rapid toxicity testing based on mitochondrial respiratory activity.
M E Haubenstricker et al.
Bulletin of environmental contamination and toxicology, 44(5), 675-680 (1990-05-01)
Manuel Carmona et al.
Journal of agricultural and food chemistry, 54(18), 6825-6834 (2006-08-31)
Generation of volatiles by thermal treatments has been studied in saffron spice for two reasons: (a) to determine volatile profile changes during simulated aging processes and (b) to study the volatile generation pathway. During the aging process, while the amounts
Hiroyuki Kataoka et al.
Journal of chromatography. A, 1155(1), 100-104 (2007-04-27)
A simple and sensitive method for the determination of isophorone in food samples was developed by headspace solid-phase microextraction (HS-SPME) coupled with gas chromatography-mass spectrometry (GC-MS). Isophorone was separated within 10 min by GC-MS using a DB-1 capillary column and
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