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N-Ethyl-p-menthane-3-carboxamide

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Name

N-Ethyl-p-menthane-3-carboxamide

EINECS 254-599-0
CAS No. 39711-79-0 Density 0.898 g/cm3
PSA 29.10000 LogP 3.22180
Solubility Insoluble in water Melting Point 87-102 °C
Formula C13H25NO Boiling Point 340.5 °C at 760 mmHg
Molecular Weight 211.348 Flash Point 205.7 °C
Transport Information N/A Appearance white crystalline powder
Safety 39-26 Risk Codes 36-41-22
Molecular Structure Molecular Structure of 39711-79-0 (N-Ethyl-p-menthane-3-carboxamide) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

CoolingSensate WS 3;Ethyl menthane carboxamide;WS3;WS 3 (amide);

Article Data 2

N-Ethyl-p-menthane-3-carboxamide Synthetic route

39668-86-5

menthanecarboxylic acid

Conditions
ConditionsYield
With sulfuric acid; water; sodium nitrite at 75℃;61%

N-Ethyl-p-menthane-3-carboxamide Specification

The N-Ethyl-p-menthane-3-carboxamide, with the CAS registry number 39711-79-0, is also known as Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-. Its EINECS registry number is 254-599-0. This chemical's molecular formula is C13H25NO and molecular weight is 211.34. Its IUPAC name is called N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide. What's more, the product should be sealed and stored in cool and dry place.

Physical properties of N-Ethyl-p-menthane-3-carboxamide: (1)ACD/LogP: 3.40; (2)ACD/LogD (pH 5.5): 3.4; (3)ACD/LogD (pH 7.4): 3.4; (4)ACD/BCF (pH 5.5): 227.46; (5)ACD/BCF (pH 7.4): 227.46; (6)ACD/KOC (pH 5.5): 1693.11; (7)ACD/KOC (pH 7.4): 1693.11; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.454; (12)Molar Refractivity: 63.67 cm3; (13)Molar Volume: 235.1 cm3; (14)Surface Tension: 29.1 dyne/cm; (15)Density: 0.898 g/cm3; (16)Flash Point: 205.7 °C; (17)Enthalpy of Vaporization: 58.41 kJ/mol; (18)Boiling Point: 340.5 °C at 760 mmHg; (19)Vapour Pressure: 8.54E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is harmful if swallowed. In addition, it is irritating to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCNC(=O)C1CC(CCC1C(C)C)C
(2)InChI: InChI=1S/C13H25NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)
(3)InChIKey: VUNOFAIHSALQQH-UHFFFAOYSA-N

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