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Merck
CN

77055

Sigma-Aldrich

4-Pentynoic acid

purum, ≥97% (GC)

Synonym(s):

Propargylacetic acid

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About This Item

Linear Formula:
CH≡CCH2CH2COOH
CAS Number:
6089-09-4
Molecular Weight:
98.10
Beilstein:
1742047
EC Number:
228-028-0
MDL number:
MFCD00004407
UNSPSC Code:
12352100
PubChem Substance ID:
329767460

Key Documents

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grade

purum

Assay

≥97% (GC)

bp

110 °C/30 mmHg (lit.)

mp

54-57 °C (lit.)
54-57 °C

storage temp.

2-8°C

SMILES string

OC(=O)CCC#C

InChI

1S/C5H6O2/c1-2-3-4-5(6)7/h1H,3-4H2,(H,6,7)

InChI key

MLBYLEUJXUBIJJ-UHFFFAOYSA-N

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Other Notes

Versatile building block for the synthesis of 4-alkynoic acids by C-alkylation

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

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J. Martel et al.
Bulletin de la Societe Chimique De France, 131-131 (1978)
H. Gerlach et al.
Helvetica Chimica Acta, 61, 1226-1226 (1978)
A.A. Jakubowski et al.
Tetrahedron Letters, 2399-2399 (1977)
W. Seidel et al.
Tetrahedron Letters, 23, 159-159 (1982)
H Hamano et al.
Bioorganic & medicinal chemistry, 8(3), 665-674 (2000-03-25)
Acyclic noncompetitive antagonists of ionotropic gamma-aminobutyric acid (GABA) receptors, bearing an ester or ether linkage, were designed, synthesized, and assayed for their inhibition of the specific binding of [3H]4'-ethynyl-4-n-propylbicycloorthobenzoate (EBOB), a radiolabeled noncompetitive antagonist, to rat brain and housefly head
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