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48545

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Isophorone

analytical standard

Synonyme(s) :

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

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About This Item

Formule empirique (notation de Hill):
C9H14O
Numéro CAS:
78-59-1
Poids moléculaire :
138.21
Numéro Beilstein :
1280721
Numéro CE :
201-126-0
Numéro MDL:
MFCD00001584
Code UNSPSC :
12000000
ID de substance PubChem :
24872076

Qualité

analytical standard

Densité de vapeur

4.77 (vs air)

Pression de vapeur

0.2 mmHg ( 20 °C)

Température d'inflammation spontanée

864 °F

Limite d'explosivité

3.8 %

Conditionnement

ampule of 5000 mg

Technique(s)

HPLC: suitable
gas chromatography (GC): suitable

Indice de réfraction

n20/D 1.476 (lit.)

Point d'ébullition

213-214 °C (lit.)

Pf

−8 °C (lit.)

Densité

0.923 g/mL at 25 °C (lit.)

Application(s)

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

Format

neat

Température de stockage

2-8°C

Chaîne 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

Clé InChI

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.

Pictogrammes

Health hazardExclamation mark
GHS08,GHS07

Mention d'avertissement

Warning

Mentions de danger

H302 + H312,H319,H335,H351

Classification des risques

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

Organes cibles

Respiratory system

Code de la classe de stockage

10 - Combustible liquids

Classe de danger pour l'eau (WGK)

WGK 1

Point d'éclair (°F)

204.8 °F - closed cup

Point d'éclair (°C)

96.0 °C - closed cup

Équipement de protection individuelle

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

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Certificats d'analyse (COA)

Lot/Batch Number
LC24665V
LC24488V
LC23557V
LC23273V
LC23122V

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Retrouvez la documentation relative aux produits que vous avez récemment achetés dans la Bibliothèque de documents.

Consulter la Bibliothèque de documents

Ismail Kiran et al.
Biotechnology letters, 27(14), 1007-1010 (2005-09-01)
Racemic diisophorone (500 mg) was converted by Cephalosporium aphidicola and Neurospora crassa over 10 days at 25 degrees C to 8beta-hydroxydiisophorone in yields of 10% (52 mg) and 20% (103 mg), respectively. The structure was established by IR, specific rotation
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
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
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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