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48545

Supelco

Isophorone

analytical standard

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:
12181503
PubChem Substance ID:
24872076
Pricing and availability is not currently available.

grade

analytical standard

vapor density

4.77 (vs air)

vapor pressure

0.2 mmHg ( 20 °C)

autoignition temp.

864 °F

expl. lim.

3.8 %

packaging

ampule of 5000 mg

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

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.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

storage temp.

2-8°C

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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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

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

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Certificates of Analysis (COA)

Lot/Batch Number
LC24665V
LC24488V
LC23557V
LC23273V
LC23122V

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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
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
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
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