Propanoic acid,2-hydroxy-, isooctadecyl ester supplier

Name
isooctadecyl lactate
EINECS 255-674-0
CAS No. 42131-28-2
Density 0.908 g/cm³
Solubility
Melting Point
Formula C₂₁H₄₂O₃
Boiling Point 374.5 °C at 760 mmHg
Molecular Weight 342.55638
Flash Point 174.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cetiol ISL;Isooctadecyl lactate;Isostearyl lactate;Patlac IL;Pelemol ISL;
PSA 46.53000
LogP 6.02780

Propanoic acid,2-hydroxy-, isooctadecyl ester Specification

The CAS registry number of Propanoic acid,2-hydroxy-, isooctadecyl ester is 42131-28-2. This chemical is also named as 2-Hydroxypropanoic acid, isostearyl ester. Its EINECS registry number is 255-674-0. In addition, its molecular formula is C₂₁H₄₂O₃ and molecular weight is 342.55638. Its systematic name and IUPAC name are the same which is called 16-methylheptadecyl 2-hydroxypropanoate.

Physical properties about Propanoic acid,2-hydroxy-, isooctadecyl ester are: (1)ACD/LogP: 8.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.13; (4)ACD/LogD (pH 7.4): 8.13; (5)ACD/BCF (pH 5.5): 888969.5; (6)ACD/BCF (pH 7.4): 888967.56; (7)ACD/KOC (pH 5.5): 630641.13; (8)ACD/KOC (pH 7.4): 630639.75; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 19; (12)Index of Refraction: 1.456; (13)Molar Refractivity: 102.56 cm³; (14)Molar Volume: 376.9 cm³; (15)Surface Tension: 33 dyne/cm; (16)Density: 0.908 g/cm³; (17)Flash Point: 174.5 °C; (18)Enthalpy of Vaporization: 71.95 kJ/mol; (19)Boiling Point: 374.5 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCCCCCCCCC(C)C)C(O)C
(2)InChI: InChI=1/C21H42O3/c1-19(2)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-24-21(23)20(3)22/h19-20,22H,4-18H2,1-3H3
(3)InChIKey: RWKSBJVOQGKDFZ-UHFFFAOYAI

Product Name

isooctadecyl lactate

Propanoic acid,2-hydroxy-, isooctadecyl ester Specification

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