 Home > Encyclopedia > 3-Methyl-2-butenoic acid

3-Methyl-2-butenoic acid

3-Methyl-2-butenoic acid structure

CAS No:
541-47-9
Formula:
C5H8O2
Chemical Name:
3-Methyl-2-butenoic acid
Synonyms:
2-Butenoic acid,3-methyl-;Crotonic acid,3-methyl-;3-Methyl-2-butenoic acid;β,β-Dimethylacrylic acid;Senecioic acid;β-Methylcrotonic acid;3,3-Dimethylacrylic acid;3-Methylcrotonic acid;NSC 2549;NSC 97179
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

3-Methylcrotonic acid has green, phenolic, dairy aroma White to brown crystal

Solid|Solid; green, phenolic, dairy aroma

3-methylbut-2-enoic acid is a methyl-branched fatty acid that is but-2-enoic acid bearing a methyl substituent at position 3. It has a role as a plant metabolite. It is a monounsaturated fatty acid, a short-chain fatty acid, a methyl-branched fatty acid and an alpha,beta-unsaturated monocarboxylic acid. It derives from a 2-butenoic acid.

3-Methyl-2-butenoic acid Basic Attributes

Molecular Weight：

100.12

Exact Mass：

100.12

BRN：

1720305

EC Number：

208-782-7

UNII：

EKV8I38F9I

NSC Number：

97179|2549

DSSTox ID：

DTXSID2047145

HScode：

2916190090

Characteristics

PSA：

37.3

XLogP3：

1.2

Appearance：

Solid

Density：

0.9272 g/cm³ @ Temp: 25 °C

Melting Point：

69.5 °C

Boiling Point：

197 °C

Flash Point：

93°C

Refractive Index：

1.451

Water Solubility：

soluble in water, and methanol.

Storage Conditions：

-20°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

3261

wgk germany：

hazard class code：

37/38-41-34

safety instructions：

26-36/37/39-45-27

RTECS Number：

GQ5425000

Marks：

Xi,C

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H315-H318-H335

GHS Classification：

|Danger|H314 (21.56%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 167 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

beta,beta-dimethylacrylic acid

3-Methyl-2-butenoic acid Use and Manufacturing

Methods of Manufacturing

The mesityl oxide and potassium hypochlorite aqueous solution react in dioxane, and the reaction exotherms to reflux the generated chloroform. After the reaction is complete, add sodium bisulfite to react with excess hypochlorite. Acidification with sulfuric acid, extraction with ether, and vacuum distillation of the extract to obtain 3-methyl-2-butenoic acid. The yield is 49-53%.

Uses

Used in paint, etc.

Manufacturing Info：

2-Butenoic acid, 3-methyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:100.12
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:100.052429494
Monoisotopic Mass:100.052429494
Topological Polar Surface Area:37.3
Heavy Atom Count:7
Complexity:98.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 3-Methyl-2-butenoic acid

Hangzhou KieRay Chem Co.,LTD Contact Supplier

CN
5 YRS

Business licensed Certified factory

Manufactory Supplier of fine chemicals,pharmaceutical materials

3,3-Dimethylacrylic acid

CAS No.: 541-47-9

Grade: industrial Grade

Content: 98%

Inquiry
HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

3,3-Dimethylacrylic acid

CAS No.: 541-47-9

Content: 99.00%

Inquiry
Qingdao Ascend chemical Co.,Ltd Contact Supplier

CN
2 YRS

Business licensed

Trader Supplier of acetylacetone

3,3-Dimethylacrylic acid 99%

Unit Price: $2200-2210 /MT FOB

CAS No.: 541-47-9

Inquiry
Henan Lihao Chem Plant Limited Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of PVC resin,pvc paste resin,melamine

3,3-Dimethylacrylic acid 99% see COA kanbei

CAS No.: 541-47-9

Grade: Industrial Grade

Content: 99%

Inquiry
Belle Chemical LLC Contact Supplier

GB
3 YRS

Business licensed

Distributor Supplier of Phosphoric Acid,Caustic Soda,Urea 46,Soda Ash,Chlorine,Acetate

BEST QUALITYCAS 541-47-9 3-Methylbut-2-Enoic Acid,Factory supply 99% high quality low price 541-47-9 3,3-Dimethyl acrylic acid/High quality/Best price

CAS No.: 541-47-9

Grade: Industrial Grade

Content: 99%

Inquiry