W222011

异丁醛

Name: 异丁醛
Brand: ALDRICH

natural, 96%, FG

别名:

2-甲基丙醛

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线性分子式:

(CH₃)₂CHCHO

化学文摘社编号:

78-84-2

分子量:

72.11

FEMA Number:

2220

Council of Europe no.:

92c

UNSPSC Code:

12164502

PubChem Substance ID:

24900933

Flavis number:

5.004

EC Number:

201-149-6

NACRES:

NA.21

MDL number:

MFCD00006980

Beilstein/REAXYS Number:

605330

Organoleptic:

cocoa; pungent; brown

Grade:

FG, Fragrance grade, Halal, Kosher, natural

Agency:

follows IFRA guidelines

Food allergen:

no known allergens

主要文件

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SMILES string

[H]C(=O)C(C)C

InChI

1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3

InChI key

AMIMRNSIRUDHCM-UHFFFAOYSA-N

grade

FG, Fragrance grade, Halal, Kosher, natural

agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002, FDA 21 CFR 117

vapor density

2.5 (vs air)

vapor pressure

66 mmHg ( 4.4 °C)

assay

96%

autoignition temp.

384 °F

expl. lim.

10 %, 25 °F, 2 %, 32 °F

greener alternative product characteristics

Less Hazardous Chemical Syntheses
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.

Quality Level

300, 400

bp

63 °C (lit.)

mp

−65 °C (lit.)

solubility

60 g/L at 25 °C

density

0.79 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

greener alternative category

Aligned

organoleptic

cocoa; pungent; brown

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General description

We are committed to bringing you Greener Alternative Products, which adhere to one of the four categories of Greener Alternatives . This product is a Biobased products, showing key improvements in Green Chemistry Principles “Less Hazardous Chemical Syntheses” and “Use of Renewable Feedstock”.

Application

Efficient total synthesis of pulchellalactam, a CD45 protein tyrosine phosphatase inhibitor.: Discusses a synthetic route involving isobutyraldehyde for developing inhibitors that have potential applications in biochemistry and medical research (Li WR et al., 2002).

pictograms

GHS02,GHS07

signalword

Danger

hcodes

H225,H319

pcodes

P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2

存储类别

3 - Flammable liquids

wgk

WGK 1

flash_point_f

-11.2 °F - closed cup

flash_point_c

-24 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves

法规信息

危险化学品

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历史批次信息供参考:

分析证书(COA)

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Organocatalytic enantioselective cross-aldol reactions of aldehydes with isatins: formation of two contiguous quaternary centered 3-substituted 3-hydroxyindol-2-ones.

Fei Xue et al.

Chemistry, an Asian journal, 4(11), 1664-1667 (2009-09-12)

Highly efficient isobutyraldehyde-mediated epoxidation of cyclic alkenes with dioxygen catalyzed by a novel dimeric manganese(II) complex containing an easy-to-prepare flexible carboxamide ligand.

Hamid Reza Khavasi et al.

Inorganic chemistry, 48(13), 5593-5595 (2009-05-28)

Dioxygen epoxidation of cyclic alkenes into their corresponding epoxides was successfully achieved in good yield by using a novel binuclear manganese carboxamide complex as the catalyst and isobutyraldehyde as the cosubstrate.

Use of gas chromatography-olfactometry to identify key odorant compounds in dark chocolate. Comparison of samples before and after conching.

Christine Counet et al.

Journal of agricultural and food chemistry, 50(8), 2385-2391 (2002-04-04)

After vacuum distillation and liquid-liquid extraction, the volatile fractions of dark chocolates were analyzed by gas chromatography-olfactometry and gas chromatography-mass spectrometry. Aroma extract dilution analysis revealed the presence of 33 potent odorants in the neutral/basic fraction. Three of these had

Energy-gaining formation and catalytic behavior of active structures in a SiO(2)-supported unsaturated Ru complex catalyst for alkene epoxidation by DFT calculations.

Rudy Coquet et al.

Physical chemistry chemical physics : PCCP, 9(45), 6040-6046 (2007-11-16)

The formation and catalytic behavior of active structures in a SiO(2)-supported unsaturated Ru complex catalyst for alkene epoxidation were studied by means of hybrid density functional theory (DFT) calculations. An energy-gaining route for the catalyst activation was found to allow

Quantum mechanical predictions of the stereoselectivities of proline-catalyzed asymmetric intermolecular aldol reactions.

S Bahmanyar et al.

Journal of the American Chemical Society, 125(9), 2475-2479 (2003-02-27)

Quantum mechanical calculations were employed to predict the ratio of four stereoisomeric products expected from two complex reactions involving the aldol reactions of cyclohexanone with benzaldehyde or with isobutyraldehyde catalyzed by (S)-proline. Experimental tests of these predictions provide an assessment

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异丁醛

natural, 96%, FG

选择尺寸

关于此项目

主要文件

属性

SMILES string

InChI

InChI key

grade

agency

reg. compliance

vapor density

vapor pressure

assay

autoignition temp.

expl. lim.

greener alternative product characteristics

Quality Level

bp

mp

solubility

density

application(s)

documentation

food allergen

fragrance allergen

greener alternative category

organoleptic

相关类别

说明

General description

Application

安全信息

pictograms

signalword

hcodes

pcodes

Hazard Classifications

存储类别

wgk

flash_point_f

flash_point_c

ppe

法规信息

文件

分析证书(COA)

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