CAS No.534-59-8,Butylmalonic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	534-59-8
Name:	Butylmalonic acid
Article Data:	39

Formula:	C₇H₁₂O₄
Molecular Weight:	160.17
Synonyms:	Malonicacid, butyl- (6CI,7CI,8CI);NSC 791;a-Carboxycaproic acid;n-Butylmalonic acid;Propanedioic acid, butyl- (9CI);1,1-Pentanedicarboxylic acid;2-Butylmalonic acid;2-n-Butylmalonic acid;Butylmalonic acid;
EINECS:	208-602-7
Density:	1.198 g/cm³
Melting Point:	105-107 °C(lit.)
Boiling Point:	333.083 °C at 760 mmHg
Flash Point:	169.449 °C
Solubility:	438g/L(25 oC)
Appearance:	white crystalline powder
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26-37/39
PSA:	74.60000
LogP:	0.96200

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Specification

The Butylmalonic acid is an organic compound with the formula C₇H₁₂O₄. The IUPAC name of this chemical is 2-butylpropanedioic acid. With the CAS registry number 534-59-8, it is also named as Propanedioic acid, butyl-. The product's categories are Pharmaceutical Intermediates; Carboxylic Acid Monomers; Monomers; Polymer Science. Besides, it is a white crystalline powder, which should be stored in a closed cool and dry place.

Physical properties about Butylmalonic acid are: (1)ACD/LogP: 1.38; (2)ACD/LogD (pH 5.5): -0.95; (3)ACD/LogD (pH 7.4): -3.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 52.6 Å²; (12)Index of Refraction: 1.473; (13)Molar Refractivity: 37.56 cm³; (14)Molar Volume: 133.7 cm³; (15)Polarizability: 14.89×10^-24cm³; (16)Surface Tension: 47.8 dyne/cm; (17)Density: 1.197 g/cm³; (18)Flash Point: 169.4 °C; (19)Enthalpy of Vaporization: 63.3 kJ/mol; (20)Boiling Point: 333.1 °C at 760 mmHg; (21)Vapour Pressure: 2.69E-05 mmHg at 25 °C.

Uses of Butylmalonic acid: it can be used to produce hexanoic acid at temperature of 145 °C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(C(=O)O)CCCC
(2)InChI: InChI=1/C7H12O4/c1-2-3-4-5(6(8)9)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)
(3)InChIKey: MCRZWYDXIGCFKO-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C7H12O4/c1-2-3-4-5(6(8)9)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)
(5)Std. InChIKey: MCRZWYDXIGCFKO-UHFFFAOYSA-N