Basic information
- Name:
Cyclohexanecarboxamide,N-ethyl-5-methyl-2-(1-methylethyl)-
- Superlist Name:
- N-Ethyl-p-menthane-3-carboxamide
- CAS No.:
39711-79-0
- Molecular Structure:
- Formula:
- C13H25NO
- Molecular Weight:
- 211.35
- Synonyms:
- CoolingSensate WS 3;Ethyl menthane carboxamide;WS3;WS 3 (amide);
- EINECS:
- 254-599-0
- Density:
- 0.898 g/cm3
- Melting Point:
- 87-102 °C
- Boiling Point:
- 340.5 °C at 760 mmHg
- Flash Point:
- 205.7 °C
- Solubility:
- Insoluble in water
- Appearance:
- white crystalline powder
- Hazard Symbols:
Xi,
Xn- Risk Codes:
- 36-41-22
- Safety Description:
- 39-26 Details
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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