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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:
1280721
EC Number:
201-126-0
MDL number:
MFCD00001584
UNSPSC Code:
12352100
PubChem Substance ID:
24895951
NACRES:
NA.22

vapor density

4.77 (vs air)

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

Signal Word

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 Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

204.8 °F - closed cup

Flash Point(C)

96.0 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

I18709-VAR:
I18709-5ML:4548173949741
I18709-BULK:
I18709-1L:4548173949734
I18709-2.5L:
I18709-100ML:4548173949727

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Isophorone diisocyanate 98%, mixture of isomers

Sigma-Aldrich

317624

Isophorone diisocyanate

Huangzhao Wei et al.
Journal of hazardous materials, 244-245, 478-488 (2012-11-28)
The catalyst Ru/TiZrO(4) was applied in the degradation of Isophorone by catalytic wet air oxidation. Mathematical models for the effects of reaction conditions on the Isophorone degradation by catalytic wet air oxidation were developed using a response surface methodology. A
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
Errol V Mathias et al.
Langmuir : the ACS journal of surfaces and colloids, 24(3), 692-700 (2007-12-07)
Rf-IPDU-PEGs belong to a class of fluoroalkyl-ended poly(ethylene glycol) polymers (Rf-PEGs), where the IPDU (isophorone diurethane) functions as a linker to connect each end of the PEG chain to a fluoroalkyl group. The Rf-IPDU-PEGs form hydrogels in water with favorable
J L O'Donoghue et al.
Mutation research, 206(2), 149-161 (1988-10-01)
3 ketone solvents (methyl ethyl ketone (MEK), methyl isobutyl ketone (MiBK), and isophorone) were tested for potential genotoxicity. The assays of MEK and MiBK included the Salmonella/microsome (Ames) assay, L5178Y/TK+/- mouse lymphoma (ML) assay, BALB/3T3 cell transformation (CT) assay, unscheduled
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