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Merck
CN

01680

Acrolein

≥95.0% (as anhydrous, GC)

Synonym(s):

2-Propenal

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About This Item

Linear Formula:
CH2=CHCHO
CAS Number:
107-02-8
Molecular Weight:
56.06
PubChem Substance ID:
24845183
UNSPSC Code:
12352100
Beilstein/REAXYS Number:
741856
MDL number:
MFCD00006998

Key Documents

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SMILES string

[H]C(=O)C=C

InChI

1S/C3H4O/c1-2-3-4/h2-3H,1H2

InChI key

HGINCPLSRVDWNT-UHFFFAOYSA-N

vapor density

1.94 (vs air)

vapor pressure

4.05 psi ( 20 °C)

assay

≥95.0% (as anhydrous, GC)

autoignition temp.

428 °F

contains

~0.2% hydroquinone as stabilizer, ~3% water as stabilizer

expl. lim.

31 %

bp

53 °C (lit.)

mp

−87 °C (lit.)

density

0.839 g/mL at 25 °C (lit.)

storage temp.

2-8°C

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signalword

Danger

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 2 Oral - Acute Tox. 3 Dermal - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Flam. Liq. 2 - Skin Corr. 1B

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

-20.2 °F - closed cup

flash_point_c

-29 °C - closed cup

ppe

Faceshields, Gloves, Goggles

Regulatory Information

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Christina M Perez et al.
Toxicological sciences : an official journal of the Society of Toxicology, 132(2), 467-477 (2013-01-22)
Exposure to air pollution increases the risk of cardiovascular morbidity and mortality, especially in susceptible populations. Despite increased risk, adverse responses are often delayed and require additional stress tests to reveal latent effects of exposure. The goal of this study
Kenta Watanabe et al.
Atherosclerosis, 227(1), 51-57 (2013-01-12)
Acrolein-conjugated lysine residues in proteins are present in human atherosclerotic lesions, and are detected in human low-density lipoprotein (LDL). These findings suggest that acrolein may contribute to macrophage foam cell formation and atherogenesis through modification of LDL. The purpose of
MMWR. Morbidity and mortality weekly report, 62(16), 313-314 (2013-04-26)
Acrolein is an aquatic herbicide used in the western United States to prevent impaired water flow in irrigation canals. Despite its toxicity, few cases of acrolein-related illness have been reported in the literature. On August 15, 2012, an irrigation district
Zun-Yi Wang et al.
American journal of physiology. Regulatory, integrative and comparative physiology, 304(10), R846-R853 (2013-03-22)
Cannabinoids have been shown to exert analgesic and anti-inflammatory effects, and the effects of cannabinoids are mediated primarily by cannabinoid receptors 1 and 2 (CB1and CB2). Both CB1 and CB2 are present in bladders of various species, including human, monkey
Mats Linder et al.
Physical chemistry chemical physics : PCCP, 15(14), 5108-5114 (2013-03-02)
This work discusses the dependence of transition state geometries on the choice of quantum chemical optimization method for the extensively studied Diels-Alder reaction. Rather significant differences are observed between post-Hartree-Fock methods and (hybrid) density functional theory, where the latter predicts
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