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Impurities and reference standards

Diallylacetic acid

Also known as 2-allyl-4-pentenoic acid, 2-(prop-2-en-1-yl)pent-4-enoic acid, Diallyl-acetic acid

CAS 99-67-2Formula C8H12O2Molar mass 140.18 g/molEC 809-762-6
GHS signal word: Warning. Pictograms: Harmful or irritant 1 supplier listed
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Diallylacetic acid chemical structure, C8H12O2, CAS 99-67-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
99-67-2
Formula
C8H12O2
Molar mass
140.18 g/mol
EC number
809-762-6
HS code
291619
Category
Impurities and reference standards

What is Diallylacetic acid?

Plain description, key identifiers and synonyms

Diallylacetic acid is a chemical substance with the molecular formula C8H12O2 and a molar mass of 140.18 g/mol. Its CAS registry number is 99-67-2. The IUPAC name is 2-prop-2-enylpent-4-enoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-prop-2-enylpent-4-enoic acid
CAS number
99-67-2
EC number
809-762-6
Molecular formula
C8H12O2
UNII
4283Q9901Q
MDL number
MFCD01709129
InChIKey
OKJQSUPURXTNME-UHFFFAOYSA-N
InChI
InChI=1S/C8H12O2/c1-3-5-7(6-4-2)8(9)10/h3-4,7H,1-2,5-6H2,(H,9,10)
SMILES (canonical and isomeric)
C=CCC(CC=C)C(=O)O

Synonyms

  • 2-allyl-4-pentenoic acid
  • 2-(prop-2-en-1-yl)pent-4-enoic acid
  • Diallyl-acetic acid
  • 2-(2-Propenyl)-4-pentenoic acid
  • 4-Pentenoic acid, 2-(2-propenyl)-
  • 4-Pentenoic acid, 2-(2-propen-1-yl)-
  • 4,4'-Dien-valproic acid
  • 2-Propenyl-4-pentenoic acid
  • 4-Pentenoic acid, 2-allyl-
  • alpha,alpha-Diallylacetic acid
  • 1,6-Heptadiene-4-carboxylic acid
  • di-2-Propenylacetic acid
  • 3-02-00-01467 (Beilstein Handbook Reference)
  • 4-Pentenoic acid, 2-(2-propenyl)-(9CI)
  • 2-Allylpent-4-enoic acid
  • 2-prop-2-enylpent-4-enoic acid
  • Diallylessigsaure
  • Valproic Acid USP Related Compound A
  • Decenal
  • 2-Allylpent-4-enoicacid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
140.18 g/molcalc.
Exact mass
140.0837 Dacalc.
LogP (octanol/water)
1.84calc.
Topological polar surface area
37.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
5calc.
Heavy atoms
10calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Diallylacetic acid suppliers

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Where suppliers are based

1 supplier in 1 country

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Diallylacetic acid price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Diallylacetic acid is traded under.

HS 2916.19Indicative HS code

Unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides…

World exports in 2024
$674M
−9.6% vs 2023, imports $722M
2019 to 2024
Top exporters
  1. China44.5%
  2. Germany15.3%
  3. India * partner reported11.5%
Top importers
  1. United States17.1%
  2. Netherlands7.8%
  3. South Korea7.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Diallylacetic acid is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Diallylacetic acid, based on the data on this page

What is Diallylacetic acid?

Diallylacetic acid is a chemical substance with the molecular formula C8H12O2 and a molar mass of 140.18 g/mol. Its CAS registry number is 99-67-2. The IUPAC name is 2-prop-2-enylpent-4-enoic acid.

What is the CAS number of Diallylacetic acid?

The CAS registry number of Diallylacetic acid is 99-67-2.

What is the molecular formula and weight of Diallylacetic acid?

The molecular formula of Diallylacetic acid is C8H12O2 and its molar mass is 140.18 g/mol.

Is Diallylacetic acid hazardous?

Diallylacetic acid carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Diallylacetic acid?

Diallylacetic acid is usually classified under HS code 291619 (Unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Diallylacetic acid?

CompoundList lists 1 supplier of Diallylacetic acid in Canada. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Diallylacetic acid?

Suppliers quote Diallylacetic acid on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Diallylacetic acid

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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