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MilliporeSigma

W355305

Isophorone

≥97%, FG

Synonym(s):

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

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$56.20

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$72.30

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$169.00

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$339.00

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About This Item

Empirical Formula (Hill Notation):
C9H14O
CAS Number:
78-59-1
Molecular Weight:
138.21
FEMA Number:
3553
Council of Europe no.:
4011
UNSPSC Code:
12164502
PubChem Substance ID:
24901777
Flavis number:
7.126
EC Number:
201-126-0
NACRES:
NA.21
MDL number:
MFCD00001584
Beilstein/REAXYS Number:
1280721
Organoleptic:
green; musty; cooling; camphoraceous; woody; fruity; sweet
Grade:
FG
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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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

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

Quality Level

300, 400

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Show Differences

1 of 4

This Item
I18709CRM78345PHL80401
Isophorone ≥97%, FG

Sigma-Aldrich

W355305

Isophorone

Isophorone 97%

Sigma-Aldrich

I18709

Isophorone

Isophorone certified reference material, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

Supelco

CRM78345

Isophorone

Cytisine phyproof® Reference Substance

PHL80401

Cytisine

organoleptic

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

organoleptic

-

organoleptic

-

organoleptic

-

grade

FG

grade

-

grade

certified reference material, TraceCERT®

grade

primary reference standard

biological source

synthetic

biological source

-

biological source

-

biological source

-

food allergen

no known allergens

food allergen

-

food allergen

-

food allergen

-

agency

meets purity specifications of JECFA

agency

-

agency

-

agency

-

documentation

see Safety & Documentation for available documents

documentation

-

documentation

-

documentation

-

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

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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Certificates of Analysis (COA)

Lot/Batch Number
SHBQ3608
STBK6319
SHBP4406
SHBP2946
SHBP5700

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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
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
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