trans-Methyl crotonate

CAS No. 623-43-8

Formula: C5H8O2
Basic Info

(E)-Crotonic Acid Methyl Ester is the methyl ester of Crotonic Acid which is found in water extracts from carrot seeds (Daucus carota L.) and is shown to have strong herbicidal properties.

Formula
C5H8O2
Molecular Weight
100.116
Exact Mass
100.052
LogP
0.7355
PSA
26.3
Synonyms

Methyl Crotonate

2-Butenoic acid, methyl ester, (E)-

3-methyl-acrylic acid,methyl ester

crotonic acid methyl ester

E-1-triethylsilylpropensaeuremethylester

methyl-trans-4-oxo-2-pentoate

methyl-trans-3-triethylsilylacrylate

methyl trans-crotonate

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Properties
Appearance & Physical State
colorless Liquid
Density
0.944
Boiling Point
118-120ºC
Flash Point
4ºC
Refractive Index
1.423-1.425
Stability
Stable under normal temperatures and pressures.
Storage Condition
Flammables area
Vapor Pressure
0.152mmHg at 25°C
Safety Info
Safety Statements
S16-S26-S36-S33-S9
Risk Statements
R11; R36/37/38
HS Code
29161980
RIDADR
UN 3272 3/PG 2
Packing Group
II
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : parameter in CCl4
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IR Spectrum IR : CCl4 solution
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Mass Spectrum Mass spectrum (electron ionization)
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Raman Spectrum Raman : 4880 A,200 M,liquid
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Toxicity
SKIN/EYE IRRITATION DATA
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Type of Test
Standard Draize test
Exposure Route
Administration onto the skin
Species Observed
Rodent - rabbit
Dose/Duration
500 mg/24H
Toxic Effects
--
Reference
Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,865,1979
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
>3200 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,865,1979
ACUTE TOXICITY DATA
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Type of Test
LC - Lethal concentration
Exposure Route
Inhalation
Species Observed
Rodent - rat
Dose/Duration
>19000 ppm/6H
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,865,1979
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