CAS No.631-31-2,1-ETHYL-1-METHYLSUCCINIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	631-31-2
Name:	1-ETHYL-1-METHYLSUCCINIC ACID
Article Data:	20

Formula:	C₇H₁₂O₄
Molecular Weight:	160.17
Synonyms:	Succinicacid, 2-ethyl-2-methyl- (6CI,7CI,8CI);2-Ethyl-2-methylsuccinic acid;2-Methyl-2-ethylsuccinic acid;3-Methyl-3-carboxyvaleric acid;NSC 38752;a-Methyl-a-ethylsuccinic acid;
EINECS:	211-154-5
Density:	1.2 g/cm³
Melting Point:	64.6-65.4 °C
Boiling Point:	257.8 °C at 760 mmHg
Flash Point:	124 °C
PSA:	74.60000
LogP:	0.96200

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Specification

The CAS register number of Butanedioic acid,2-ethyl-2-methyl- is 631-31-2. It also can be called as 2-Methyl-2-ethylsuccinic acid and the systematic name about this chemical is 2-ethyl-2-methylbutanedioic acid. The molecular formula about this chemical is C₇H₁₂O₄ and the molecular weight is 160.17.

Physical properties about Butanedioic acid,2-ethyl-2-methyl- are: (1)ACD/LogP: 0.64; (2)ACD/LogD (pH 5.5): -1.08; (3)ACD/LogD (pH 7.4): -3.78; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.02; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 52.6 Å²; (12)Index of Refraction: 1.475; (13)Molar Refractivity: 37.57 cm³; (14)Molar Volume: 133.3 cm³; (15)Polarizability: 14.89x10^-24cm³; (16)Surface Tension: 47 dyne/cm; (17)Density: 1.2 g/cm³; (18)Flash Point: 124 °C; (19)Enthalpy of Vaporization: 54.54 kJ/mol; (20)Boiling Point: 257.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00431 mmHg at 25 °C

Uses of Butanedioic acid,2-ethyl-2-methyl-: it can be used to produce 2-ethyl-2-methyl-succinic acid anhydride. This reaction will need reagent of CH₃COCl. This reaction needs heating. The reaction time is 1 hour. The yield is about 78.7%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(C(=O)O)(CC)C
(2)InChI: InChI=1/C7H12O4/c1-3-7(2,6(10)11)4-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,10,11)
(3)InChIKey: FDYJJKHDNNVUDR-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C7H12O4/c1-3-7(2,6(10)11)4-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,10,11)
(5)Std. InChIKey: FDYJJKHDNNVUDR-UHFFFAOYSA-N