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W355305

Sigma-Aldrich

Isophorone

≥97%, FG

Sinónimos:

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

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About This Item

Fórmula empírica (notación de Hill):
C9H14O
Número de CAS:
78-59-1
Peso molecular:
138.21
FEMA Number:
3553
Beilstein/REAXYS Number:
1280721
EC Number:
201-126-0
Council of Europe no.:
4011
MDL number:
MFCD00001584
UNSPSC Code:
12164502
PubChem Substance ID:
24901777
Flavis number:
7.126
NACRES:
NA.21

biological source

synthetic

grade

FG

agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 872/2012

vapor density

4.77 (vs air)

vapor pressure

0.2 mmHg ( 20 °C)

assay

≥97%

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.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

green; musty; cooling; camphoraceous; woody; fruity; sweet

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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Biochem/physiol Actions

Odor at 1.0%
Taste at 30 ppm

Other Notes

Natural occurrence: Burley tobacco, cranberry, macadamia nuts, peas, roasted filbert, saffron, wine and osmanthus.

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

Certificados de análisis (COA)

Busque Certificados de análisis (COA) introduciendo el número de lote del producto. Los números de lote se encuentran en la etiqueta del producto después de las palabras «Lot» o «Batch»

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Butyraldehyde ≥96.0%

Sigma-Aldrich

W221902

Butyraldehyde

Isophorone diisocyanate 98%, mixture of isomers

Sigma-Aldrich

317624

Isophorone diisocyanate

Dimetilsulfóxido ≥99%, FG

Sigma-Aldrich

W387520

Dimetilsulfóxido

Bojidarka B Ivanova
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 65(5), 1035-1040 (2006-07-11)
Possibilities of linear-dichroic infrared (IR-LD) spectroscopy based on oriented solid samples as suspension in nematic liquid crystal have been applied for detailed experimental IR-band assignment and structural information of 2-[5,5-dimethyl-3-(2-phenyl-vinil)-cyclohex-2-enylidene]-malononitrile, 2-[5,5-dimethyl-3-[2-(2-methoxyphenyl)vinyl]cyclo-hex-2-enylidene]malononitrile and 2-[3-[2-(2,4-dimethoxyphenyl)vinyl]-5,5-dimethylcyclohex-2-enylidene]malononitrile. The data of last two compounds have
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
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
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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