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I18709

Sigma-Aldrich

Isophorone

97%

Sinônimo(s):

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

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About This Item

Fórmula empírica (Notação de Hill):
C9H14O
Número CAS:
78-59-1
Peso molecular:
138.21
Beilstein:
1280721
Número CE:
201-126-0
Número MDL:
MFCD00001584
Código UNSPSC:
12352100
ID de substância PubChem:
24895951
NACRES:
NA.22

densidade de vapor

4.77 (vs air)

pressão de vapor

0.2 mmHg ( 20 °C)

Ensaio

97%

forma

liquid

temperatura de autoignição

864 °F

Lim. expl.

3.8 %

índice de refração

n20/D 1.476 (lit.)

pb

213-214 °C (lit.)

pf

−8 °C (lit.)

densidade

0.923 g/mL at 25 °C (lit.)

cadeia de caracteres SMILES

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

chave InChI

HJOVHMDZYOCNQW-UHFFFAOYSA-N

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Pictogramas

Health hazardExclamation mark
GHS08,GHS07

Palavra indicadora

Warning

Classificações de perigo

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

Órgãos-alvo

Respiratory system

Código de classe de armazenamento

10 - Combustible liquids

Classe de risco de água (WGK)

WGK 1

Ponto de fulgor (°F)

204.8 °F - closed cup

Ponto de fulgor (°C)

96.0 °C - closed cup

Equipamento de proteção individual

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

Certificados de análise (COA)

Busque Certificados de análise (COA) digitando o Número do Lote do produto. Os números de lote e remessa podem ser encontrados no rótulo de um produto após a palavra “Lot” ou “Batch”.

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Isophorone diisocyanate 98%, mixture of isomers

Sigma-Aldrich

317624

Isophorone diisocyanate

Iodometano purum, ≥99.0% (GC)

Sigma-Aldrich

67692

Iodometano

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
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
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
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).
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
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