Caprylylglycine supplier | CasNO.14246-53-8

Name
Caprylylglycine
EINECS 238-122-3
CAS No. 14246-53-8
Article Data28
CAS DataBase
Density 1.037 g/cm³
Solubility 1.557g/L at 20℃
Melting Point 102-103 °C
Formula C₁₀H₁₉NO₃
Boiling Point 403.868 °C at 760 mmHg
Molecular Weight 201.266
Flash Point 198.052 °C
Transport Information
Appearance White crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Glycine,N-octanoyl- (6CI,7CI,8CI);Capryloylglycine;Lipacide C 8G;N-Octanoyl-glycine;N-octanoylglycine;Caprylylglycine;N-(1-Oxooctyl)glycine; 2-(Octanoylamino)acetic acid;2-(octanoylamino)acetic acid;
PSA 66.40000
LogP 1.93860

Caprylylglycine Specification

The Glycine,N-(1-oxooctyl)-, with the CAS registry number 14246-53-8 and EINECS registry number 238-122-3, has the systematic name of N-octanoylglycine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₁₉NO₃.

The characteristics of Glycine,N-(1-oxooctyl)- are as followings: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.35; (4)ACD/LogD (pH 7.4): -1.79; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.66; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 53.56 cm³; (15)Molar Volume: 194.1 cm³; (16)Polarizability: 21.23×10^-24cm³; (17)Surface Tension: 38.8 dyne/cm; (18)Density: 1.036 g/cm³; (19)Flash Point: 198.1 °C; (20)Enthalpy of Vaporization: 71.9 kJ/mol; (21)Boiling Point: 403.9 °C at 760 mmHg; (22)Vapour Pressure: 1.19E-07 mmHg at 25°C.

Preparation of Glycine,N-(1-oxooctyl)-: This chemical can be prepared by glycine and octanoyl chloride. The reaction will need reagent 10% NaOH, and the menstruum H₂O and acetone. The reaction temperature is 0-5°C, and the yield is about 72%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(NCC(=O)O)CCCCCCC
(2)InChI: InChI=1/C10H19NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14)
(3)InChIKey: SAVLIIGUQOSOEP-UHFFFAOYAG

Product Name

Caprylylglycine

Caprylylglycine Specification

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