Skip to Content
Merck
CN

W355305

Isophorone

≥97%, FG

Synonym(s):

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

Sign In to View Organizational & Contract Pricing.

Select a Size

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

View All Documentation
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

Product Name

Isophorone, ≥97%, FG

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

Looking for similar products? Visit Product Comparison Guide

Related Categories

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

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
SHBQ3608
STBK6319
SHBP4406
SHBP2946
SHBP5700

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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
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
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)
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
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).
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service