3-Hexenal supplier | CasNO.4440-65-7

Name
3-Hexenal
EINECS 224-659-0
CAS No. 4440-65-7
Article Data4
CAS DataBase
Density 0.828 g/cm³
Solubility
Melting Point -78°C (estimate)
Formula C₆H₁₀O
Boiling Point 127.3 °C at 760 mmHg
Molecular Weight 98.1448
Flash Point 18.1 °C
Transport Information
Appearance colorless liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Hex-3-enal;
PSA 17.07000
LogP 1.54160

3-Hexenal Specification

The 3-Hexenal, with the CAS registry number 4440-65-7, is also known as Hex-3-enal. It belongs to the product category of Alcohol flavor. Its EINECS registry number is 224-659-0. This chemical's molecular formula is C₆H₁₀O and molecular weight is 98.14. What's more, its systematic name is called Hex-3-enal.

Physical properties about 3-Hexenal are: (1)ACD/LogP: 1.73; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 12.06; (6)ACD/BCF (pH 7.4): 12.06; (7)ACD/KOC (pH 5.5): 206.89; (8)ACD/KOC (pH 7.4): 206.89; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07Å²; (13)Index of Refraction: 1.421; (14)Molar Refractivity: 30.09 cm³; (15)Molar Volume: 118.5 cm³; (16)Surface Tension: 25.7 dyne/cm; (17)Density: 0.828 g/cm³; (18)Flash Point: 18.1 °C; (19)Enthalpy of Vaporization: 36.51 kJ/mol; (20)Boiling Point: 127.3 °C at 760 mmHg; (21)Vapour Pressure: 11.2 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=CCC=CCC
(2) InChI: InChI=1/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3
(3) InChIKey: GXANMBISFKBPEX-UHFFFAOYAU

Product Name

3-Hexenal

3-Hexenal Specification

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