3-Methyl-2-butenoyl chloride

Basic Information

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CAS Number

3350-78-5

Molecular Formula

C5H7ClO

Molecular Weight

118.56 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

145-147 °C

Refractive Index

n20/D 1.476(lit.)

SMILES

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CC(=CC(=O)Cl)C

InChI

InChI=1S/C5H7ClO/c1-4(2)3-5(6)7/h3H,1-2H3

InChIKey

BDUBTLFQHNYXPC-UHFFFAOYSA-N

LogP

1.7180000000000002

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

101

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 3.2 Class 3.2

Synonyms & References

English

FT-0634794
3-methyl-but-2-en-1-oyl chloride
dimethylacrylyl chloride
SCHEMBL250153
3-methyl-crotonoyl chloride
3-Methylcrotonoyl chloride
3,3 dimethyl acryloyl chloride
beta-methylcrotonyl chloride
VS-08522
3,3-dimethylacryloylchloride
F5J5J5448C
3,3-Dimethylacrylyl chloride
InChI=1/C5H7ClO/c1-4(2)3-5(6)7/h3H,1-2H
MFCD00000730
A822262
2-Butenoyl chloride, 3-methyl-
EN300-107974
3-methylbut-2-enoylchloride
E80417
3,3-dimethyl-acryloyl chloride
EINECS 222-109-4
3,3,-dimethyl acryloyl chloride
AKOS015902972
J-512896
3350-78-5
3-methylbut-2-enoyl chloride
DTXSID80187146
3-Methylbut-2-enoyl chloride contains 400 ppm phenothiazine as inhibitor
3-Methyl-2-butenoyl chloride #
3-Methyl-2-butenoyl chloride
Senecioyl chloride

MDL Number

MFCD00000730

Customs Code

2916190090

FAQ

What regulatory guidelines apply to 3-Methyl-2-butenoyl chloride (CAS: 3350-78-5)?

3-Methyl-2-butenoyl chloride (CAS: 3350-78-5) falls under the classification of organic compounds and is subject to regulatory guidelines such as GHS for hazard communication, REACH for European Union specific regulations, and FDA standards for its use in food additives. EPA regulations also apply for its environmental handling and disposal.

Are there alternatives to 3-Methyl-2-butenoyl chloride (CAS: 3350-78-5) in synthesis?

In the synthesis of similar chemical functionalities, alternatives to 3-Methyl-2-butenoyl chloride include other aliphatic carboxylic acid chlorides, such as acetyl chloride or propionyl chloride, which offer similar reactivity but may be easier to handle due to lower toxicity and reactivity.

What is the market or research trend for 3-Methyl-2-butenoyl chloride (CAS: 3350-78-5)?

The market for 3-Methyl-2-butenoyl chloride (CAS: 3350-78-5) reflects increasing interest in specialized organic compounds for pharmaceutical and fine chemical applications. Research trends include its use as a key intermediate in the synthesis of various bioactive compounds and flavor enhancers, with a focus on sustainable and green chemistry approaches.

How should waste containing 3-Methyl-2-butenoyl chloride (CAS: 3350-78-5) be handled?

Waste containing 3-Methyl-2-butenoyl chloride (CAS: 3350-78-5) should be managed according to local hazardous waste regulations. It is recommended to collect waste in appropriate containers, neutralize any residual acids, and dispose of the waste through a licensed waste disposal facility that specializes in hazardous organic compounds.