CAS No.626-99-3,2,4-Pentadienoic acid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	626-99-3
Name:	2,4-Pentadienoic acid
Article Data:	20

Formula:	C₅H₆O₂
Molecular Weight:	98.1014
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;
EINECS:	210-976-1
Density:	1.039 g/cm³
Melting Point:	69-72 °C
Boiling Point:	215 °C at 760 mmHg
Flash Point:	121.5 °C
Safety:	22-24/25
PSA:	37.30000
LogP:	0.81320

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

Conditions	Yield
in aetherischer Loesung;

...Expand

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

: 626-99-3
1,3-butadiene-1-carboxylic acid

Conditions

Conditions	Yield
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

Conditions	Yield
(hydrolysis);

: 14403-19-1
(RS)-3-amino-pent-4-enoic acid

: 626-99-3
1,3-butadiene-1-carboxylic acid

Conditions

Conditions	Yield
(heating);

: 124-38-9
carbon dioxide

: 106-99-0
buta-1,3-diene

: 626-99-3
1,3-butadiene-1-carboxylic acid

Conditions

Conditions	Yield
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

Conditions	Yield
With potassium hydroxide

potassium-2.4-disulfo valerate: potassium-2.4-disulfo valerate

: 626-99-3
1,3-butadiene-1-carboxylic acid

Conditions

Conditions	Yield
With potassium hydroxide

: 14403-16-8
1-benzoyl-4-vinyl-azetidin-2-one

: 626-99-3
1,3-butadiene-1-carboxylic acid

Conditions

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

: 80-05-7
BPA

A: 3588-17-8
(2E,4E)-2,4-hexadienedioic acid

B: 626-99-3
1,3-butadiene-1-carboxylic acid

Conditions

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

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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