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Merck
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文件

W355305

Sigma-Aldrich

异佛尔酮

≥97%, FG

别名:

3,5,5-三甲基-2-环己烯-1-酮

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About This Item

经验公式（希尔记法）:
C9H14O
CAS号:
78-59-1
分子量:
138.21
FEMA號碼:
3553
Beilstein:
1280721
EC號碼:
201-126-0
歐洲委員會號碼:
4011
MDL號碼:
MFCD00001584
分類程式碼代碼:
12164502
PubChem物質ID:
24901777
Flavis號碼:
7.126
NACRES:
NA.21

生物源

synthetic

等級

FG

agency

meets purity specifications of JECFA

法律遵循

EU Regulation 1334/2008 & 872/2012

蒸汽密度

4.77 (vs air)

蒸汽壓力

0.2 mmHg ( 20 °C)

化驗

≥97%

自燃溫度

864 °F

expl. lim.

3.8 %

折射率

n20/D 1.476 (lit.)

bp

213-214 °C (lit.)

mp

−8 °C (lit.)

密度

0.923 g/mL at 25 °C (lit.)

應用

flavors and fragrances

文件

see Safety & Documentation for available documents

食物過敏原

no known allergens

感官的

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

SMILES 字串

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 密鑰

HJOVHMDZYOCNQW-UHFFFAOYSA-N

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相关类别

生化／生理作用

1.0% 时的气味
30ppm 时的味道

其他說明

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。

象形圖

Health hazardExclamation mark
GHS08,GHS07

訊號詞

Warning

危險分類

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

標靶器官

Respiratory system

儲存類別代碼

10 - Combustible liquids

水污染物質分類（WGK）

WGK 1

閃點（°F）

204.8 °F - closed cup

閃點（°C）

96.0 °C - closed cup

個人防護裝備

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

分析证书(COA)

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丁醛 ≥96.0%

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丁醛

异佛尔酮二异氰酸酯 98%, mixture of isomers

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Sigma-Aldrich

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甲基亚砜

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
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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