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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:
Molecular Weight:
138.21
Beilstein/REAXYS Number:
1280721
EC Number:
MDL number:
UNSPSC Code:
12000000
PubChem Substance ID:

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

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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K Saito et al.
Toxicology, 76(2), 177-186 (1992-11-30)
Effects of alpha 2u-globulin accumulating agents on alpha 2u-globulins in rat kidneys were examined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) and immunoblotting analysis. Treatment of male animals with decalin (150 mg/kg), 2,2,4-trimethylpentane (50 mg/kg), isophorone (150 mg/kg), d-limonene (150
J R Bucher et al.
Toxicology, 39(2), 207-219 (1986-05-01)
Toxicology and carcinogenesis studies of isophorone were conducted by administering 0, 250, or 500 mg/kg body weight per day by gavage in corn oil to groups of 50 F344/N rats and 50 B6C3F1 mice of each sex, 5 days/week, for
Toxicity of acenaphthene and isophorone to early life stages of fathead minnows.
M A Cairns et al.
Archives of environmental contamination and toxicology, 11(6), 703-707 (1982-11-01)
Sung-Hoon Kim et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 78(1), 234-237 (2010-11-16)
A new donor-π-acceptor (D-π-A) type isophorone dye was synthesized by the condensation reaction between 2-(3,5,5-trimethylcyclohex-2-enylidene)-malononitrile and indole-3-carboxaldehyde. The chemical structure of the dye was characterized by 1H NMR, EA and MS. A novel, chromogenic, fluorescent dye based on indol as
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

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