2(3H)-Furanone,3-hexyldihydro- supplier

Name
ALPHA-HEXYL-GAMMA-BUTYROLACTONE
EINECS 242-316-3
CAS No. 18436-37-8
Article Data6
CAS DataBase
Density 0.946 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₈O₂
Boiling Point 266.7 °C at 760 mmHg
Molecular Weight 170.252
Flash Point 105.8 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Octanoicacid, 2-(2-hydroxyethyl)-, g-lactone (6CI,7CI);α-Hexyl-g-butyrolactone;
PSA 26.30000
LogP 2.51990

2(3H)-Furanone,3-hexyldihydro- 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

Product Name

ALPHA-HEXYL-GAMMA-BUTYROLACTONE

2(3H)-Furanone,3-hexyldihydro- Specification

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