Propanedioic acid,2-hexadecyl- supplier

Name
2-HEXADECYL-MALONIC ACID
EINECS 224-466-1
CAS No. 4371-64-6
Article Data8
CAS DataBase
Density 0.99 g/cm³
Solubility
Melting Point
Formula C₁₉H₃₆O₄
Boiling Point 476.8 °C at 760 mmHg
Molecular Weight 328.492
Flash Point 256.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Malonicacid, hexadecyl- (6CI,8CI);Propanedioic acid, hexadecyl- (9CI);1,1-Heptadecanedicarboxylic acid;2-Hexadecylmalonic acid;Hexadecylmalonicacid;NSC 74095;
PSA 74.60000
LogP 5.64320

Propanedioic acid,2-hexadecyl- Specification

The CAS registry number of Propanedioic acid,2-hexadecyl- is 4371-64-6. This chemical is also named as Carboxystearic acid. Its EINECS registry number is 224-466-1. In addition, its molecular formula is C₁₉H₃₆O₄ and molecular weight is 328.49. Its IUPAC name is called 2-hexadecylpropanedioic acid.

Physical properties about Propanedioic acid,2-hexadecyl- are: (1)ACD/LogP: 7.76; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.42; (4)ACD/LogD (pH 7.4): 3.14; (5)ACD/BCF (pH 5.5): 2128.05; (6)ACD/BCF (pH 7.4): 11.11; (7)ACD/KOC (pH 5.5): 1815.17; (8)ACD/KOC (pH 7.4): 9.48; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 17; (12)Index of Refraction: 1.473; (13)Molar Refractivity: 93.16 cm³; (14)Molar Volume: 331.7 cm³; (15)Surface Tension: 38.9 dyne/cm; (16)Density: 0.99 g/cm³; (17)Flash Point: 256.3 °C; (18)Enthalpy of Vaporization: 81.13 kJ/mol; (19)Boiling Point: 476.8 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(C(=O)O)CCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18(20)21)19(22)23/h17H,2-16H2,1H3,(H,20,21)(H,22,23)
(3)InChIKey: MVDKKZZVTWHVMC-UHFFFAOYAR

Product Name

2-HEXADECYL-MALONIC ACID

Propanedioic acid,2-hexadecyl- Specification

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