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Merck
CN

W222003

异丁醛

≥98%, FG

别名:

2-甲基丙醛, 异丁醛

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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.:
92
UNSPSC Code:
12164502
PubChem Substance ID:
24900932
Flavis number:
5.004
EC Number:
201-149-6
NACRES:
NA.21
MDL number:
MFCD00006980
Beilstein/REAXYS Number:
605330
Organoleptic:
fresh; green; floral
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens

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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

biological source

synthetic

grade

FG, Fragrance grade, Halal, Kosher

agency

follows IFRA guidelines, meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002, FDA 21 CFR 117, FDA 21 CFR 172.515

vapor density

2.5 (vs air)

vapor pressure

66 mmHg ( 4.4 °C)

assay

≥98%

autoignition temp.

384 °F

expl. lim.

10 %, 25 °F, 2 %, 32 °F

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

organoleptic

fresh; green; floral

storage temp.

2-8°C

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相关类别

General description

异丁醛是一种可以用作调味剂的脂肪族醛。 它已被确定为小麦香精中的挥发性风味成分之一。 有些人可能厌恶异丁醛的气味。

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

hcodes

H225,H319

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)

Lot/Batch Number
SHBT5201
SHBT1708
SHBS9030
SHBS9025
SHBS4102

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Mcwilliams M & Mackey AC
Journal of Food Science, 34(6), 493-496 (1969)
Burdock GA
Encyclopedia of Food and Color Additives, 1, 1462-1463 (1997)
Specific anosmia to isobutyraldehyde: the malty primary odor.
MOORE JE, et al.
Chemical Senses, 2(1), 17-25 (1976)
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
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)
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