Cyclohexanol, 4-ethyl-,trans- supplier

Name
TRANS-4-ETHYLCYCLOHEXANOL
EINECS 224-878-1
CAS No. 19781-62-5
Article Data12
CAS DataBase
Density 0.909 g/cm³
Solubility
Melting Point
Formula C₇H₅BrN₂S₂
Boiling Point 185.7 °C at 760 mmHg
Molecular Weight 128.214
Flash Point 77.8 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms trans-4-Ethylcyclohexanol;AI3-37925;
PSA 20.23000
LogP 1.94750

Cyclohexanol, 4-ethyl-,trans- Specification

The Cyclohexanol, 4-ethyl-,trans-, with the CAS registry number 19781-62-5, is also known as AI3-37925. This chemical's molecular formula is C₇H₅BrN₂S₂ and molecular weight is 269.34. What's more, its systematic name is trans-4-Ethylcyclohexanol.

Physical properties of Cyclohexanol, 4-ethyl-,trans- are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.88; (6)ACD/BCF (pH 7.4): 36.88; (7)ACD/KOC (pH 5.5): 460.37; (8)ACD/KOC (pH 7.4): 460.37; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 38.58 cm³; (15)Molar Volume: 141 cm³; (16)Polarizability: 15.29×10^-24 cm³; (17)Surface Tension: 30.3 dyne/cm; (18)Density: 0.909 g/cm³; (19)Flash Point: 77.8 °C; (20)Enthalpy of Vaporization: 49.1 kJ/mol; (21)Boiling Point: 185.7 °C at 760 mmHg; (22)Vapour Pressure: 0.194 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC[C@H]1CC[C@H](O)CC1
(2)InChI: InChI=1/C8H16O/c1-2-7-3-5-8(9)6-4-7/h7-9H,2-6H2,1H3/t7-,8-
(3)InChIKey: RVTKUJWGFBADIN-ZKCHVHJHBK

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	56mg/kg (56mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05180,

Product Name

TRANS-4-ETHYLCYCLOHEXANOL

Cyclohexanol, 4-ethyl-,trans- Specification

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