3-Methyl-2-butenal
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3-Methyl-2-butenal
structure -
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CAS No:
107-86-8
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Formula:
C5H8O
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Chemical Name:
3-Methyl-2-butenal
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Synonyms:
2-Butenal,3-methyl-;Crotonaldehyde,3-methyl-;Senecialdehyde;3-Methyl-2-butenal;β,β-Dimethylacrolein;2-Methyl-2-buten-4-al;Senecioaldehyde;3-Methyl-2-buten-1-al;3-Methylcrotonaldehyde;3,3-Dimethylacrolein;β-Methylcrotonaldehyde;Prenal;β,β-Dimethylacrylic aldehyde;NSC 149164;3-Methyl-2-butenaldehyde;3,3-Dimethylacrylaldehyde;Prenylaldehyde;1428758-13-7
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CAS No:
Description
3-Methyl-2-butenal has an almond odor clear colorless to light yellow liquidChEBI: An enal consisting of but-2-ene with a methyl substituent at position 3 and an oxo group at position 1.3-Methyl-2-butenal has an almond odor.
Liquid|COLOURLESS-TO-YELLOW LIQUID WITH PUNGENT ODOUR.|Colourless liquid; almond, mild-buttery aroma
3-methylbut-2-enal is an enal consisting of but-2-ene with a methyl substituent at position 3 and an oxo group at position 1. It has a role as a metabolite. It derives from a 3-methylbut-2-enoic acid.
3-Methyl-2-butenal Basic Attributes
84.12
84.12
1734740
203-527-6
2JZ2B60W76
1294
149164
1989
DTXSID8029606|DTXSID30756462
29121900
Characteristics
17.1
0.53
Clear colorless to light yellow Liquid
0.9 g/cm3
-20 °C
136 °C
93 °F
n 20/D 1.462(lit.)
soluble
2-8°C
7 mm Hg ( 20 °C)
Relative vapour density (air = 1): 2.9
vol% in air: 1.8
145 °C
Safety Information
III
3
UN 1989 3/PG 3
2
10-22-37/38-41-43-36/37/38-34-20/22-20/21/22
26-36-37/39-16-45-36/37/39
Xn,Xi,C
Fireproof. Well closed. Separated from strong oxidants. Store in an area without drain or sewer access.
Stable at normal temperatures and pressures.
P261-P280-P305 + P351 + P338-P310
H226-H302-H314-H317-H331
Flammable. Above 37 °C explosive vapour/air mixtures may be formed.
|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P321, P330, P333+P313, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 1679 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P307+P311, P310, P311, P314, P321, P330, P333+P313, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Use foam, powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
Explosive limits , vol% in air: 1.8-7
Remove all ignition sources. Personal protection: chemical protection suit including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
Fireproof. Well closed. Separated from strong oxidants. Store in an area without drain or sewer access.
No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
The substance is corrosive to the skin. The substance is severely irritating to the eyes. The vapour is irritating to the respiratory tract. Exposure could cause lowering of consciousness.
Repeated or prolonged contact may cause skin sensitization. The substance may have effects on the respiratory tract. This may result in tissue lesions.
NO open flames, NO sparks and NO smoking. NO contact with hot surfaces. Above 37 °C use a closed system, ventilation and explosion-proof electrical equipment. Use non-sparking handtools.
AVOID ALL CONTACT! IN ALL CASES CONSULT A DOCTOR!
Use ventilation, local exhaust or breathing protection.
Protective gloves. Protective clothing.
Wear face shield or eye protection in combination with breathing protection.
Drug Information
Fresh air, rest. Half-upright position. Refer immediately for medical attention.
Remove contaminated clothes. Rinse skin with plenty of water or shower for at least 15 minutes. Refer immediately for medical attention.
Rinse with plenty of water (remove contact lenses if easily possible). Refer immediately for medical attention.
3-methyl-2-butenal
The substance can be absorbed into the body by inhalation of its vapour and by ingestion.
Cough. Sore throat. Burning sensation in the throat and chest. Drowsiness.
Redness. Pain. Skin burns. Blisters.
Redness. Pain. Blurred vision.
3-Methyl-2-butenal Use and Manufacturing
2-Butenal, 3-methyl-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;
Computed Properties
Molecular Weight:84.12
XLogP3:1.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:84.057514874
Monoisotopic Mass:84.057514874
Topological Polar Surface Area:17.1
Heavy Atom Count:6
Complexity:68
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 3-Methyl-2-butenal
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