CAS No.18436-37-8,ALPHA-HEXYL-GAMMA-BUTYROLACTONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	18436-37-8
Name:	ALPHA-HEXYL-GAMMA-BUTYROLACTONE
Article Data:	6

Formula:	C₁₀H₁₈O₂
Molecular Weight:	170.252
Synonyms:	Octanoicacid, 2-(2-hydroxyethyl)-, g-lactone (6CI,7CI);α-Hexyl-g-butyrolactone;
EINECS:	242-316-3
Density:	0.946 g/cm³
Boiling Point:	266.7 °C at 760 mmHg
Flash Point:	105.8 °C
Hazard Symbols:	Xi
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
PSA:	26.30000
LogP:	2.51990

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Specification

This chemical is called 2(3H)-Furanone,3-hexyldihydro-, and its systematic name is 3-hexyldihydrofuran-2(3H)-one. With the molecular formula of C₁₀H₁₈O₂, its molecular weight is 170.2487. The CAS registry number of this chemical is 18436-37-8.

Other characteristics of the 2(3H)-Furanone,3-hexyldihydro- can be summarised as followings: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 38.22; (6)ACD/BCF (pH 7.4): 38.22; (7)ACD/KOC (pH 5.5): 472.27; (8)ACD/KOC (pH 7.4): 472.27; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 48.04 cm³; (15)Molar Volume: 179.8 cm³; (16)Polarizability: 19.04×10^-24cm³; (17)Surface Tension: 31 dyne/cm; (18)Density: 0.946 g/cm³; (19)Flash Point: 105.8 °C; (20)Enthalpy of Vaporization: 50.47 kJ/mol; (21)Boiling Point: 266.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00852 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1OCCC1CCCCCC
2.InChI: InChI=1/C10H18O2/c1-2-3-4-5-6-9-7-8-12-10(9)11/h9H,2-8H2,1H3
3.InChIKey: IBVDLVUXSDSVQF-UHFFFAOYAA