Diallylacetic acid

Base Information

Chemical Name:Diallylacetic acid
CAS No.:99-67-2
Molecular Formula:C8H12 O2
Molecular Weight:140.182
Hs Code.:2916196000
European Community (EC) Number:809-762-6
UNII:4283Q9901Q
Nikkaji Number:J34.535K
Wikidata:Q27258507
Mol file:99-67-2.mol

Synonyms:2-Allylpent-4-enoic acid;99-67-2;DIALLYLACETIC ACID;2-allyl-4-pentenoic acid;2-(prop-2-en-1-yl)pent-4-enoic acid;2-prop-2-enylpent-4-enoic acid;2-(2-Propenyl)-4-pentenoic acid;4-Pentenoic acid, 2-(2-propenyl)-;4283Q9901Q;Diallyl-acetic acid;4,4'-Dien-valproic acid;2-Propenyl-4-pentenoic acid;4-Pentenoic acid, 2-allyl-;alpha,alpha-Diallylacetic acid;Diallylessigsaure;UNII-4283Q9901Q;BRN 1702223;2-Allylpent-4-enoicacid;3-02-00-01467 (Beilstein Handbook Reference);SCHEMBL891727;DI-2-PROPENYLACETIC ACID;OKJQSUPURXTNME-UHFFFAOYSA-N;MFCD01709129;AKOS006279859;DS-8463;1,6-HEPTADIENE-4-CARBOXYLIC ACID;.ALPHA.,.ALPHA.-DIALLYLACETIC ACID;EN300-106643;F19223;4-PENTENOIC ACID, 2-(2-PROPEN-1-YL)-;A858437;Q27258507;Z1198157966

Suppliers and Price of Diallylacetic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
DiallylaceticAcid
500mg
$ 655.00

Sigma-Aldrich
Valproic Acid Related Compound A United States Pharmacopeia (USP) Reference Standard
0.25ml
$ 1160.00

Sigma-Aldrich
Diallyl Acetic Acid (Valproic Acid RCA)
0.5ml
$ 531.00

Medical Isotopes, Inc.
DiallylaceticAcid
100 mg
$ 620.00

Medical Isotopes, Inc.
DiallylaceticAcid
1 g
$ 1460.00

Crysdot
2-Allylpent-4-enoicacid 95+%
1g
$ 376.00

Crysdot
2-Allylpent-4-enoicacid 95+%
5g
$ 1129.00

Crysdot
2-Allylpent-4-enoicacid 95+%
10g
$ 1782.00

American Custom Chemicals Corporation
2-ALLYL-4-PENTENOIC ACID 95.00%
2.5G
$ 1635.30

American Custom Chemicals Corporation
2-ALLYL-4-PENTENOIC ACID 95.00%
5G
$ 2181.31

Total 41 raw suppliers

Chemical Property of Diallylacetic acid

Chemical Property:

Vapor Pressure:3.01mmHg at 25°C
Melting Point:48℃
Boiling Point:155.6°Cat760mmHg
Flash Point:56.4°C
PSA：37.30000
Density:0.908g/cm³
LogP:1.83940
Storage Temp.:Sealed in dry,Store in freezer, under -20°C
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:140.083729621
Heavy Atom Count:10
Complexity:128

Purity/Quality:

97% ^*data from raw suppliers

DiallylaceticAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CCC(CC=C)C(=O)O
Uses Diallylacetic Acid (Valproic Acid USP Related Compound A), is a metabolite of Valproic Acid (V094750) as anticonvulsant agents. It can also be used for the synthesis of Velbanamine.

Technology Process of Diallylacetic acid

There total 14 articles about Diallylacetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%