Dodecanoic acid, 12-methoxy- supplier

Name
12-METHOXYDODECANOIC ACID
EINECS
CAS No. 92169-28-3
Article Data12
CAS DataBase
Density 0.943 g/cm³
Solubility
Melting Point 45-46℃
Formula C₁₃H₂₆O₃
Boiling Point 336.4 °C at 760 mmHg
Molecular Weight 230.348
Flash Point 115.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 12-Methoxydodecanoicacid;13-Oxamyristic acid;13-Oxatetradecanoic acid;NSC 666070;
PSA 46.53000
LogP 3.61840

Dodecanoic acid, 12-methoxy- Specification

This chemical is called Dodecanoic acid, 12-methoxy-, and its systematic name is 12-methoxydodecanoic acid. With the molecular formula of C₁₃H₂₆O₃, its molecular weight is 230.34. The CAS registry number of this chemical is 92169-28-3.

Other characteristics of the Dodecanoic acid, 12-methoxy- can be summarised as followings: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 1.07; (5)ACD/BCF (pH 5.5): 56.92; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 373.01; (8)ACD/KOC (pH 7.4): 5.98; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 65.58 cm³; (15)Molar Volume: 244.1 cm³; (16)Polarizability: 26×10^-24cm³; (17)Surface Tension: 34.3 dyne/cm; (18)Density: 0.943 g/cm³; (19)Flash Point: 115.9 °C; (20)Enthalpy of Vaporization: 63.7 kJ/mol; (21)Boiling Point: 336.4 °C at 760 mmHg; (22)Vapour Pressure: 2.11E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)CCCCCCCCCCCOC
2.InChI: InChI=1/C13H26O3/c1-16-12-10-8-6-4-2-3-5-7-9-11-13(14)15/h2-12H2,1H3,(H,14,15)
3.InChIKey: OGLQEYICTWWJQB-UHFFFAOYAF

Product Name

12-METHOXYDODECANOIC ACID

Dodecanoic acid, 12-methoxy- Specification

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