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2,4-Pentadienoic acid

2,4-Pentadienoic acid structure

CAS No:
626-99-3
Formula:
C5H6O2
Chemical Name:
2,4-Pentadienoic acid
Synonyms:
2,4-Pentadienoic acid;α,γ-Pentadienoic acid;1,3-Butadiene-1-carboxylic acid;Butadiene-1-carboxylic acid;1-Carboxybutadiene;β-Vinylacrylic acid;1-Carboxy-1,3-butadiene;NSC 16628
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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Description

ChEBI: A pentadienoic acid with the double bonds at positions 2 and 4.

2,4-Pentadienoic acid Basic Attributes

Molecular Weight：

98.09990

Exact Mass：

98.10

EC Number：

210-976-1

Characteristics

PSA：

37.30000

XLogP3：

0.81320

Density：

1.039 g/cm3

Melting Point：

79 °C

Boiling Point：

215ºC at 760 mmHg

Flash Point：

121.5ºC

Refractive Index：

1.474

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S22-S24/25

Precautionary statement(s)：

P260, P261, P264, P270, P272, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P405, P501

Hazard Statements：

H301

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

2,4-Pentadienoic acid Use and Manufacturing

Use Classification：

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]

Computed Properties

Molecular Weight:98.10
XLogP3:1.1
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:103
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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