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2530-33-8

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Basic Information
CAS No.: 2530-33-8
Name: 2-DECYLSUCCINIC ACID
Article Data: 9
Molecular Structure:
Molecular Structure of 2530-33-8 (2-DECYLSUCCINIC ACID)
Formula: C14H26O4
Molecular Weight: 258.358
Synonyms: Butanedioicacid, decyl- (9CI);Succinic acid, decyl- (6CI,7CI,8CI);1,2-Dodecanedicarboxylic acid;Decylsuccinic acid;Tridecanoic acid, 3-carboxy-;
EINECS: 219-783-7
Density: 1.036 g/cm3
Melting Point: 94-95 °C(Solv: acetic acid (64-19-7))
Boiling Point: 372.4 °C at 760 mmHg
Flash Point: 193.2 °C
Hazard Symbols: Xi
Risk Codes: 36
Safety: 26
PSA: 74.60000
LogP: 3.69270
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Specification

The Butanedioic acid,2-decyl-, with the CAS registry number 2530-33-8, is also known as 2-Decylsuccinic acid. Its EINECS registry number is 219-783-7. This chemical's molecular formula is C14H26O4 and molecular weight is 258.35. What's more, both its IUPAC name and systematic name are the same which is called 2-Decylbutanedioic acid.

Physical properties about this chemical are: (1)ACD/LogP: 4.54; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 0.01; (5)ACD/BCF (pH 5.5): 48.09; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 203.57; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 69.99 cm3; (15)Molar Volume: 249.2 cm3; (16)Polarizability: 27.74×10-24cm3; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.036 g/cm3; (19)Flash Point: 193.2 °C; (20)Enthalpy of Vaporization: 68.04 kJ/mol; (21)Boiling Point: 372.4 °C at 760 mmHg; (22)Vapour Pressure: 1.43E-06 mmHg at 25 °C.

Preparation of Butanedioic acid,2-decyl: this chemical can be prepared by Decylsuccinic acid anhydride. This reaction needs reagent NaOH.

Butanedioic acid,2-Decyl can be prepared by Decylsuccinic acid anhydride.

Uses of Butanedioic acid,2-decyl: it is used to produce other chemicals. For example, it is used to produce 2-Decyl-butanedioyl dichloride. The reaction occurs with reagent PCl5 at ambient temperature. The yield is 100 %.

Butanedioic acid,2-decyl is used to produce 2-Decyl-butanedioyl dichloride.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC(C(=O)O)CCCCCCCCCC
(2) InChI: InChI=1/C14H26O4/c1-2-3-4-5-6-7-8-9-10-12(14(17)18)11-13(15)16/h12H,2-11H2,1H3,(H,15,16)(H,17,18)
(3) InChIKey: WSFYPFLCEFLXOZ-UHFFFAOYAD