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Merck
CN

W355305

异佛尔酮

≥97%, FG

别名:

3,5,5-三甲基-2-环己烯-1-酮

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关于此项目

经验公式（希尔记法）:
C9H14O
化学文摘社编号:
78-59-1
分子量:
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

主要文件

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产品名称

异佛尔酮, ≥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

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相关类别

Biochem/physiol Actions

1.0% 时的气味
30ppm 时的味道

Other Notes

天然存在：白肋烟草、越橘、夏威夷果、豌豆、烤榛子、藏红花、葡萄酒和桂花。

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

存储类别

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

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
SHBQ3608
STBK6319
SHBP4406
SHBP2946
SHBP5700

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Sung-Hoon Kim et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 78(1), 234-237 (2010-11-16)
A new donor-π-acceptor (D-π-A) type isophorone dye was synthesized by the condensation reaction between 2-(3,5,5-trimethylcyclohex-2-enylidene)-malononitrile and indole-3-carboxaldehyde. The chemical structure of the dye was characterized by 1H NMR, EA and MS. A novel, chromogenic, fluorescent dye based on indol as
K Saito et al.
Toxicology, 76(2), 177-186 (1992-11-30)
Effects of alpha 2u-globulin accumulating agents on alpha 2u-globulins in rat kidneys were examined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) and immunoblotting analysis. Treatment of male animals with decalin (150 mg/kg), 2,2,4-trimethylpentane (50 mg/kg), isophorone (150 mg/kg), d-limonene (150
J R Bucher et al.
Toxicology, 39(2), 207-219 (1986-05-01)
Toxicology and carcinogenesis studies of isophorone were conducted by administering 0, 250, or 500 mg/kg body weight per day by gavage in corn oil to groups of 50 F344/N rats and 50 B6C3F1 mice of each sex, 5 days/week, for
Toxicity of acenaphthene and isophorone to early life stages of fathead minnows.
M A Cairns et al.
Archives of environmental contamination and toxicology, 11(6), 703-707 (1982-11-01)
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).
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