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Merck
CN

W221910

丁醛

greener alternative

natural, FG

别名:

正丁醛

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线性分子式:
CH3CH2CH2CHO
化学文摘社编号:
123-72-8
分子量:
72.11
FEMA Number:
2219
Council of Europe no.:
91
UNSPSC Code:
12164502
PubChem Substance ID:
24900931
Flavis number:
5.003
EC Number:
204-646-6
NACRES:
NA.21
MDL number:
MFCD00007023
Beilstein/REAXYS Number:
506061
Organoleptic:
cocoa; green; musty; pungent
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)CCC

InChI

1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3

InChI key

ZTQSAGDEMFDKMZ-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 172.515

vapor density

2.5 (vs air)

vapor pressure

90 mmHg ( 20 °C)

assay

95%

autoignition temp.

390 °F

expl. lim.

12.5 %

greener alternative product characteristics

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

sustainability

Greener Alternative Product

Quality Level

300, 400

bp

75 °C (lit.)

mp

−96 °C (lit.)

density

0.8 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; green; musty; pungent

storage temp.

2-8°C

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General description

We are committed to bringing you greener alternative products, which adhere to one or more of the 12 Principles of Green Chemistry. This product is Biobased and thus aligns with "Less Hazardous Chemical Syntheses" and "Use of Renewable Feedstocks".

Other Notes

天然存在：苹果、梨、胡萝卜、白面包、啤酒、熟米饭。

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

ppe

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

flash_point_f

12.2 °F - closed cup

flash_point_c

-11 °C - closed cup

法规信息

危险化学品
此项目有

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
SHBT6147
SHBT2311
SHBR3193
SHBQ6646
SHBP3815

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Daniel Norberg et al.
Journal of computational chemistry, 29(3), 392-406 (2007-07-04)
The stepwise and concerted pathways for the McLafferty rearrangement of the radical cations of butanal (Bu(+)) and 3-fluorobutanal (3F-Bu(+)) are investigated with density functional theory (DFT) and ab initio methods in conjunction with the 6-311+G(d,p) basis set. A concerted transition
N Gregory et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 44(8), 1223-1227 (2006-03-17)
Bovine soles and shavings from the heel were used in laboratory tests that examined the softening and swelling effects of rainwater, cow slurry (faeces plus urine), urine, silage effluent, and washings from recently laid concrete. Formalin, glutaraldehyde and butyraldehyde were
Virender K Rehan et al.
American journal of physiology. Lung cellular and molecular physiology, 301(1), L1-L8 (2011-04-12)
The underlying mechanisms and effector molecules involved in mediating in utero smoke exposure-induced effects on the developing lung are only beginning to be understood. However, the effects of a newly discovered category of smoke, i.e., thirdhand smoke (THS), on the
Fan Fan et al.
Biochemistry, 45(6), 1979-1986 (2006-02-08)
Choline oxidase catalyzes the four-electron oxidation of choline to glycine betaine via two sequential FAD-dependent reactions in which betaine aldehyde is formed as an intermediate. The chemical mechanism for the oxidation of choline catalyzed by choline oxidase was recently elucidated
Yiannis C Fiamegos et al.
Analytica chimica acta, 609(2), 175-183 (2008-02-12)
A suitable method for the gas chromatographic determination of 10 characteristic carbonyls in biological and oil samples based on the in-drop formation of hydrazones by using 2,4,6-trichlorophenylhydrazine (TCPH), has been developed. The derivatisation-extraction procedure was optimized separately for aqueous and
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