Dodecanoic acid,2-hydroxypropyl ester supplier

Name
2-hydroxypropyl laurate
EINECS 248-315-4
CAS No. 142-55-2
Article Data4
CAS DataBase
Density 0.931 g/cm³
Solubility
Melting Point
Formula C₁₅H₃₀O₃
Boiling Point 362.5 °C at 760 mmHg
Molecular Weight 258.401
Flash Point 139.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Propanediol, 1-laurate (8CI);2-Hydroxypropyl laurate;Lauricacid, 2-hydroxypropyl ester (8CI);
PSA 46.53000
LogP 3.83130

Dodecanoic acid,2-hydroxypropyl ester Specification

The Dodecanoic acid,2-hydroxypropyl ester, with the CAS registry number 142-55-2, is also known as 1,2-Propanediol, 1-laurate. Its EINECS registry number is 205-542-3. This chemical's molecular formula is C₁₅H₃₀O₃ and molecular weight is 258.3969. Its IUPAC name is called 2-hydroxypropyl dodecanoate.

Physical properties of Dodecanoic acid,2-hydroxypropyl ester: (1)ACD/LogP: 5.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.01; (4)ACD/LogD (pH 7.4): 5.01; (5)ACD/BCF (pH 5.5): 3772.04; (6)ACD/BCF (pH 7.4): 3772.04; (7)ACD/KOC (pH 5.5): 12638.83; (8)ACD/KOC (pH 7.4): 12638.83; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Index of Refraction: 1.451; (13)Molar Refractivity: 74.81 cm³; (14)Molar Volume: 277.5 cm³; (15)Surface Tension: 33.5 dyne/cm; (16)Density: 0.931 g/cm³; (17)Flash Point: 139.3 °C; (18)Enthalpy of Vaporization: 70.43 kJ/mol; (19)Boiling Point: 362.5 °C at 760 mmHg; (20)Vapour Pressure: 1.01E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCC(=O)OCC(C)O
(2)InChI: InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)18-13-14(2)16/h14,16H,3-13H2,1-2H3
(3)InChIKey: BHIZVZJETFVJMJ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	> 34600mg/kg (34600mg/kg)		International Journal of Toxicology. Vol. 18(Suppl,

Product Name

2-hydroxypropyl laurate

Dodecanoic acid,2-hydroxypropyl ester Specification

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