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W355305

Isophorone

Name: Isophorone
Brand: ALDRICH

≥97%, FG

Synonym(s):

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

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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:

Biological source:

synthetic

Agency:

meets purity specifications of JECFA

Food allergen:

no known allergens

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Properties

biological source

synthetic

Quality Segment

300, 400

grade

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

Description

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.

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pictograms

GHS08,GHS07

signalword

Warning

hcodes

H302 + H312,H319,H335,H351

pcodes

P202 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338 - P308 + P313

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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