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2,4-Pentadienoic acid

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Name

2,4-Pentadienoic acid

EINECS 210-976-1
CAS No. 626-99-3 Density 1.039 g/cm3
PSA 37.30000 LogP 0.81320
Solubility N/A Melting Point 69-72 °C
Formula C5H6O2 Boiling Point 215 °C at 760 mmHg
Molecular Weight 98.1014 Flash Point 121.5 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 626-99-3 (2,4-Pentadienoic acid) Hazard Symbols N/A
Synonyms

a,g-Pentadienoic acid (3CI);1,3-Butadiene-1-carboxylicacid;1-Carboxy-1,3-butadiene;1-Carboxybutadiene;Butadiene-1-carboxylic acid;NSC 16628;β-Vinylacrylic acid;

Article Data 20

2,4-Pentadienoic acid Synthetic route

110-86-1

pyridine

141-82-2

malonic acid

107-02-8

acrolein

626-99-3

1,3-butadiene-1-carboxylic acid

Conditions
ConditionsYield
in aetherischer Loesung;

3,5-disulfo-valeric acid ; dipotassium-salt with tripotassium-salt

626-99-3

1,3-butadiene-1-carboxylic acid

Conditions
ConditionsYield
bei der Kalischmelze;
141-82-2

malonic acid

107-02-8

acrolein

626-99-3

1,3-butadiene-1-carboxylic acid

13038-12-5

ethyl 2,4-pentadienoate

626-99-3

1,3-butadiene-1-carboxylic acid

Conditions
ConditionsYield
(hydrolysis);
14403-19-1

(RS)-3-amino-pent-4-enoic acid

626-99-3

1,3-butadiene-1-carboxylic acid

Conditions
ConditionsYield
(heating);
124-38-9

carbon dioxide

106-99-0

buta-1,3-diene

626-99-3

1,3-butadiene-1-carboxylic acid

Conditions
ConditionsYield
With bis(1,5-cyclooctadiene)nickel (0); Maleinsaeureanhydrid; 1,2-bis-(dicyclohexylphosphino)ethane 1.) THF, RT, 48 h, 2.) THF, 20 deg C, 48 h; Yield given. Multistep reaction;
β.δ-disulfo-n-valerate of potassium

β.δ-disulfo-n-valerate of potassium

626-99-3

1,3-butadiene-1-carboxylic acid

Conditions
ConditionsYield
With potassium hydroxide
potassium-2.4-disulfo valerate

potassium-2.4-disulfo valerate

626-99-3

1,3-butadiene-1-carboxylic acid

Conditions
ConditionsYield
With potassium hydroxide
14403-16-8

1-benzoyl-4-vinyl-azetidin-2-one

626-99-3

1,3-butadiene-1-carboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: (i) NaOH, (ii) aq. HCl
2: (heating)
View Scheme

A

3588-17-8

(2E,4E)-2,4-hexadienedioic acid

B

626-99-3

1,3-butadiene-1-carboxylic acid

Conditions
ConditionsYield
With dihydrogen peroxide In water at 39.84℃; Temperature; Reagent/catalyst;

2,4-Pentadienoic acid Specification

The 2,4-Pentadienoic acid, with the CAS registry number 626-99-3, is also known as 3,3'-Dinitrobenzidine. Its EINECS number is 210-976-1. This chemical's molecular formula is C5H6O2 and molecular weight is 98.1. What's more, its IUPAC name is (2E)-penta-2,4-dienoic acid. You should not breathe dust. When using it, you must avoid contacting with skin and eyes. It is stable at common pressure and temperature, and it should be sealed and stored at the temperature of -20 °C. 

Physical properties of 2,4-Pentadienoic acid are: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.25; (4)ACD/LogD (pH 7.4): -2.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.69; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 26.56 cm3; (15)Molar Volume: 94.4 cm3; (16)Polarizability: 10.52×10-24cm3; (17)Surface Tension: 34.6 dyne/cm; (18)Density: 1.039 g/cm3; (19)Flash Point: 121.5 °C; (20)Enthalpy of Vaporization: 49.73 kJ/mol; (21)Boiling Point: 215 °C at 760 mmHg; (22)Vapour Pressure: 0.0586 mmHg at 25°C.

Uses of 2,4-Pentadienoic acid: it can be used to produce penta-2,4-dienoic acid methyl ester by heating. It will need reagent H2SO4.

2,4-Pentadienoic acid can be used to produce penta-2,4-dienoic acid methyl ester by heating

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=CC=CC(=O)O
(2)Isomeric SMILES: C=C/C=C/C(=O)O
(3)InChI: InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h2-4H,1H2,(H,6,7)/b4-3+
(4)InChIKey: SDVVLIIVFBKBMG-ONEGZZNKSA-N

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