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Carboxylic acids and anhydrides

2-Octynoic acid

Also known as 2-Octyn-1-oic acid, Pentylpropiolic acid, Oct-2-ynoic acid

CAS 5663-96-7Formula C8H12O2Molar mass 140.18 g/molEC 227-121-3
GHS signal word: Danger. Pictograms: Corrosive, Harmful or irritant 2 suppliers listed
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2-Octynoic acid chemical structure, C8H12O2, CAS 5663-96-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5663-96-7
Formula
C8H12O2
Molar mass
140.18 g/mol
EC number
227-121-3
HS code
291619
Category
Carboxylic acids and anhydrides

What is 2-Octynoic acid?

Plain description, key identifiers and synonyms

2-octynoic acid is an acetylenic fatty acid that is octanoic acid (caprylic acid) which has been doubly dehydrogenated at positions 2 and 3 to give the corresponding alkynoic acid. It is widely used in perfumes, lipstick, and many common food flavourings. It is an acetylenic fatty acid and a monounsaturated fatty acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
oct-2-ynoic acid
CAS number
5663-96-7 CAS number cross-checked
EC number
227-121-3
Molecular formula
C8H12O2
UNII
I7TMI3HR1Y
MDL number
MFCD00004364
InChIKey
BQDKCWCMDBMLEH-UHFFFAOYSA-N
InChI
InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2-5H2,1H3,(H,9,10)
SMILES (canonical and isomeric)
CCCCCC#CC(=O)O

Synonyms

  • 2-Octyn-1-oic acid
  • Pentylpropiolic acid
  • Oct-2-ynoic acid
  • m-Pentyl propiolate
  • Propiolic acid, pentyl-
  • Propiolic acid, pentyl ester
  • Oct-2-ynoicacid
  • 4-02-00-01714 (Beilstein Handbook Reference)
  • 2-Octynoic acid, 2-Octyn-1-oic acid, Pentylpropiolic acid

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)
1.65calc.
Topological polar surface area
37.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
3calc.
Heavy atoms
10calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.63calc.
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
Danger
GHS05: Corrosive
Corrosive
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302 + H312 + H332Harmful if swallowed. Harmful in contact with skin. Harmful if inhaled.
  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H314Causes severe skin burns and eye damage.
  • H318Causes serious eye damage.
  • H332Harmful if inhaled.
Precautionary statements (21)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P301 + P330 + P331If swallowed: Rinse mouth. Do not induce vomiting.
  • P302 + P352If on skin: Wash with plenty of water.
  • P302 + P361 + P354If on skin: Take off immediately all contaminated clothing. Immediately rinse with water for several minutes.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P317Get medical help.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P363Wash contaminated clothing before reuse.
  • P405Store locked up.
  • 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

2-Octynoic acid suppliers

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All 2 suppliers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

2 suppliers in 2 countries

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2-Octynoic acid price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

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 2-Octynoic 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 2-Octynoic acid is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2-Octynoic acid, based on the data on this page

What is 2-Octynoic acid?

2-octynoic acid is an acetylenic fatty acid that is octanoic acid (caprylic acid) which has been doubly dehydrogenated at positions 2 and 3 to give the corresponding alkynoic acid. It is widely used in perfumes, lipstick, and many common food flavourings. It is an acetylenic fatty acid and a monounsaturated fatty acid.

What is the CAS number of 2-Octynoic acid?

The CAS registry number of 2-Octynoic acid is 5663-96-7.

What is the molecular formula and weight of 2-Octynoic acid?

The molecular formula of 2-Octynoic acid is C8H12O2 and its molar mass is 140.18 g/mol.

What is 2-Octynoic acid used for?

Known uses and roles of 2-Octynoic acid include building blocks in research and laboratory.

Is 2-Octynoic acid hazardous?

2-Octynoic acid carries the GHS signal word "Danger". Main hazards: harmful if swallowed. harmful in contact with skin. harmful if inhaled, harmful if swallowed, harmful in contact with skin. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 2-Octynoic acid?

2-Octynoic 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 2-Octynoic acid?

CompoundList lists 2 suppliers of 2-Octynoic acid in China and Germany. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of 2-Octynoic acid?

Suppliers quote 2-Octynoic 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 2-Octynoic 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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