Hexyl nicotinoate supplier | CasNO.23597-82-2

Name
Hexyl nicotinoate
EINECS 245-767-4
CAS No. 23597-82-2
Article Data9
CAS DataBase
Density 1.02 g/cm³
Solubility 0.17g/L(32 oC)
Melting Point
Formula C₁₂H₁₇NO₂
Boiling Point 329.1 °C at 760 mmHg
Molecular Weight 207.272
Flash Point 127.8 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Nicotinicacid, hexyl ester (6Cl,7Cl,8Cl);Hexyl 3-pyridinecarboxylate;NSC 72758;Nicotherm;Nicotinic acid n-hexyl ester;n-Hexyl nicotinate;AI3-15769;UNII-BN07PB44IV;Nicotinsaeure-n-hexylester;
PSA 39.19000
LogP 2.81870

Hexyl nicotinoate Specification

The Hexyl nicotinoate with CAS registry number of 23597-82-2 is also known as 3-Pyridinecarboxylic acid, hexyl ester. The IUPAC name is Hexyl pyridine-3-carboxylate. Its EINECS registry number is 245-767-4. In addition, the formula is C₁₂H₁₇NO₂ and the molecular weight is 207.27.

Physical properties about Hexyl nicotinoate are: (1)ACD/LogP: 3.54; (2)ACD/LogD (pH 5.5): 3.54; (3)ACD/LogD (pH 7.4): 3.54; (4)ACD/BCF (pH 5.5): 286.54; (5)ACD/BCF (pH 7.4): 288; (6)ACD/KOC (pH 5.5): 1994.43; (7)ACD/KOC (pH 7.4): 2004.59; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 7; (10)Index of Refraction: 1.495; (11)Molar Refractivity: 59.28 cm³; (12)Molar Volume: 203 cm³; (13)Surface Tension: 38.2 dyne/cm; (14)Density: 1.02 g/cm³; (15)Flash Point: 127.8 °C; (16)Enthalpy of Vaporization: 57.16 kJ/mol; (17)Boiling Point: 329.1 °C at 760 mmHg; (18)Vapour Pressure: 0.000181 mmHg at 25 °C.

Uses of Hexyl nicotinoate: it is used to produce 3-hexyloxycarbonylpyridine N-oxide and 3-hexyloxycarbonyl-N-(perfluorobutanoyl)pyridinium-1-aminide. The reaction occurs with reagent perfluoro(cis-2-butyl-3-propyloxaziridine) and solvent CHCl₃, CCl₃F at -60 °C. The yield is about 25%.

Hexyl nicotinoate is used to produce 3-hexyloxycarbonylpyridine N-oxide and 3-hexyloxycarbonyl-N-(perfluorobutanoyl)pyridinium-1-aminide.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCCCCCOC(=O)C1=CN=CC=C1
2. InChI: InChI=1S/C12H17NO2/c1-2-3-4-5-9-15-12(14)11-7-6-8-13-10-11/h6-8,10H,2-5,9H2,1H3
3. InChIKey: RVYGVBZGSFLJKH-UHFFFAOYSA-N

Product Name

Hexyl nicotinoate

Hexyl nicotinoate Specification

Related Products

Hot Products