Isooctadecanoic acid supplier

Name
ISOSTEARIC ACID
EINECS 250-178-0
CAS No. 30399-84-9
Density 0.887 g/cm³
Solubility
Melting Point 69.3oC
Formula C₁₈H₃₆O₂
Boiling Point 400.8 °C at 760 mmHg
Molecular Weight 284.4772
Flash Point 225.6 °C
Transport Information
Appearance LIGHT YELLOW LIQUID
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 875D;Century 1105;Emasol 873;Emersol 871;Emersol 874;Emersol 875;Emery 871;Emery 875D;Fine Oxocol 1800 Acid;Haimaric MKH(R);IO 281;Isostearic acid 873;Isostearic acid EX;Jaric I 18CG;Prisorin ISAC 3505;Prisorine 3501;Prisorine 3502;Prisorine 3505;Prisorine 3508;UCN 96.319;Unimac 5680;
PSA 37.30000
LogP 6.18840

Isooctadecanoic acid Specification

The Isooctadecanoic acid, with the CAS registry number 30399-84-9, is also known as Haimaric MKH(R). Its EINECS registry number is 250-178-0. This chemical's molecular formula is C₁₈H₃₆O₂ and molecular weight is 284.48. What's more, its IUPAC name and systematic name are the same which is called 16-Methylheptadecanoic acid. It is used as cosmetic raw materials, advanced lubricant additives, raw materials of various esters.

Physical properties about Isooctadecanoic acid: (1)ACD/LogP: 8.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.24; (4)ACD/LogD (pH 7.4): 5.44; (5)ACD/BCF (pH 5.5): 119777.13; (6)ACD/BCF (pH 7.4): 1921.53 ; (7)ACD/KOC (pH 5.5): 89208.37; (8)ACD/KOC (pH 7.4): 1431.13 ; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 86.96 cm³; (15)Molar Volume: 320.6 cm³; (16)Surface Tension: 32.8 dyne/cm; (17)Density: 0.887 g/cm³; (18)Flash Point: 225.6 °C; (19)Enthalpy of Vaporization: 71.52 kJ/mol; (20)Boiling Point: 400.8 °C at 760 mmHg; (21)Vapour Pressure: 1.52E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCCCCCCCCCCCCCC(C)C
(2) InChI: InChI=1/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
(3) InChIKey: XDOFQFKRPWOURC-UHFFFAOYAQ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LDLo	oral	64mL/kg (64mL/kg)	SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA	Journal of the American College of Toxicology. Vol. 2(7), Pg. 61, 1983.

Product Name

ISOSTEARIC ACID

Isooctadecanoic acid Specification

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