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4-Pentynoic acid

4-Pentynoic acid structure

CAS No:
6089-09-4
Formula:
C5H6O2
Chemical Name:
4-Pentynoic acid
Synonyms:
4-Pentynoic acid;Propargylacetic acid
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

white to beige crystalline powder or flakes

4-Pentynoic acid Basic Attributes

Molecular Weight：

98.100

Exact Mass：

98.10

EC Number：

228-028-0

DSSTox ID：

DTXSID20209730

HScode：

2916190090

Characteristics

PSA：

37.30000

XLogP3：

0.3

Density：

1.1±0.1 g/cm3

Melting Point：

57.7 °C

Boiling Point：

98 °C

Flash Point：

90.8±17.3 °C

Refractive Index：

1.462

Water Solubility：

Soluble in low polarity organic solvents. Soluble in water.

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3261 8/PG 2

wgk germany：

hazard class code：

R34

safety instructions：

S26-S36/37/39-S45

RTECS Number：

SC4751000

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 51 companies from 4 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

4-pentynoic acid

4-Pentynoic acid Use and Manufacturing

4-Pentynoic Acid is a hypoglycemic agent shown to increase liver tyrosine aminotransferase and plasma corticosterone while decreasing blood sugar in rats.

Computed Properties

Molecular Weight:98.10
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:98.036779430
Monoisotopic Mass:98.036779430
Topological Polar Surface Area:37.3
Heavy Atom Count:7
Complexity:107
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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