Oxirane, 2-hexyl-,(2S)- supplier

Name
(S)-1,2-EPOXYOCTANE
EINECS
CAS No. 50418-68-3
Article Data53
CAS DataBase
Density 0.866 g/cm³
Solubility
Melting Point
Formula C₈H₁₆O
Boiling Point 169.5 °C at 760 mmHg
Molecular Weight 128.214
Flash Point 37.2 °C
Transport Information
Appearance
Safety 16-26-36
Risk Codes 10-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Oxirane,hexyl-, (2S)- (9CI);Oxirane, hexyl-, (S)-;(-)-1,2-Epoxyoctane;(2S)-1,2-Epoxyoctane;(2S)-2-Hexyloxirane;(S)-1,2-Epoxyoctane;oxirane, 2-hexyl-, (2S)-;
PSA 12.53000
LogP 2.35560

Oxirane, 2-hexyl-,(2S)- Specification

The Oxirane, 2-hexyl-,(2S)-, with the CAS registry number 50418-68-3, has the systematic name of (2S)-2-hexyloxirane. It should be stored in the 2-8°C dry environment. And the molecular formula of the chemical is C₈H₁₆O.

The characteristics of Oxirane, 2-hexyl-,(2S)- are as followings: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 76.61; (6)ACD/BCF (pH 7.4): 76.61; (7)ACD/KOC (pH 5.5): 776.93; (8)ACD/KOC (pH 7.4): 776.93; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.53 Å²; (13)Index of Refraction: 1.436; (14)Molar Refractivity: 38.68 cm³; (15)Molar Volume: 147.8 cm³; (16)Polarizability: 15.33×10^-24cm³; (17)Surface Tension: 30.6 dyne/cm; (18)Density: 0.866 g/cm³; (19)Flash Point: 37.2 °CEnthalpy of Vaporization: 38.93 kJ/mol; (20)Boiling Point: 169.5 °C at 760 mmHgVapour Pressure: 2.04 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is a kind of flammable chemical which irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O1[C@@H](CCCCCC)C1
(2)InChI: InChI=1/C8H16O/c1-2-3-4-5-6-8-7-9-8/h8H,2-7H2,1H3/t8-/m0/s1
(3)InChIKey: NJWSNNWLBMSXQR-QMMMGPOBBU

Product Name

(S)-1,2-EPOXYOCTANE

Oxirane, 2-hexyl-,(2S)- Specification

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