Propiolic acid

CAS No. 471-25-0

Formula: C3H2O2
Basic Info

Propiolic acid is an unsaturated carboxylic acid. It is a colourless liquid that crystallises to give silky crystals. Near its boiling point, it decomposes. It is soluble in water and possesses an odor like that of acetic acid.

Formula
C3H2O2
Molecular Weight
70.0468
Exact Mass
70.0055
LogP
-0.2958
PSA
37.3
Synonyms

Propynoic acid

Acetylenecarboxylic acid

2-Propynoic acid

Propargylic Acid

prop-2-ynoic acid

Propiolic Acid

Propiolic Acidd

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Properties
Appearance & Physical State
viscous yellow liquid
Density
1.138
Boiling Point
102ºC (200 mmHg)
Melting Point
16ºC
Flash Point
58ºC
Refractive Index
1.4315-1.4335
Water Solubility
miscible
Stability
Stable. Incompatible with bases, oxidizing agents, reducing agents. Combustible.
Storage Condition
2-8ºC
Vapor Pressure
3.65mmHg at 25°C
Safety Info
RTECS
UD9300000
Safety Statements
S24/25-S45
WGK Germany
3
Risk Statements
R25; R34
HS Code
29161980
RIDADR
UN 2920
Hazard Class
8
Packing Group
II
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : Predict
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Mass Spectrum Mass spectrum (electron ionization)
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Analysis Methods
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
Methyl Silicone
Retention index
660.
Temperature Control
Method
custom temperature program
Comments
Program: not specified
Reference
Zenkevich, I.G.Informational Maitenance of Gas Chromatographic Identification of Organic Compounds in Ecoanalytical InvestigationsZ. Anal. Chem.1996, 51, 11, 1140-1148.
Normal alkane RI, polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
TC-Wax
Retention index
1538.
Temperature Control
Method
temperature ramp
Comments
He, 4. K/min, 250. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm; T<sub>start</sub>: 80. C
Reference
Miyazawa, M.Okuno, Y.Volatile components from the roots of Scrophularia ningpoensis Hemsl.Flavour Fragr. J.2003, 18, 5, 398-400.
Synthesis Route
Toxicity
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
100 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Patty's Industrial Hygiene and Toxicology, 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4953,1982
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Intraperitoneal
Species Observed
Rodent - rat
Dose/Duration
25 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Patty's Industrial Hygiene and Toxicology, 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4953,1982
ACUTE TOXICITY DATA
expand collapse
Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - mouse
Dose/Duration
100 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Patty's Industrial Hygiene and Toxicology, 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4953,1982
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