6-Octenal,3,7-dimethyl-2-methylene- supplier

Name
3,7-DIMETHYL-2-METHYLENE-OCT-6-ENAL
EINECS 244-981-5
CAS No. 22418-66-2
Article Data7
CAS DataBase
Density 0.847 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₈O
Boiling Point 244.3 °C at 760 mmHg
Molecular Weight 166.263
Flash Point 97.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,7-dimethyl-2-methylene-6-octena;3,7-dimethyl-2-methylene-6-Octenal;BERGAMAL;ALPHA METHYLENE CITRONELLAL;3,7-DIMETHYL-2-METHYLENE-OCT-6-ENAL;3,7-dimethyl-2-methyleneocta-6-enal;3,7-Dimethyl-2-methylenocta-6-enal;6-Octenal, 3,7-dimethyl-2-methylene-
PSA 17.07000
LogP 3.12400

6-Octenal,3,7-dimethyl-2-methylene- Specification

The 6-Octenal,3,7-dimethyl-2-methylene-, with CAS registry number 22418-66-2, has the systematic name of 3,7-dimethyl-2-methylideneoct-6-enal. Besides this, it is also called 3,7-dimethyl-2-methylene-6-octena. And the chemical formula of this chemical is C₁₁H₁₈O. What's more, its EINECS is 244-981-5.

Physical properties of 6-Octenal,3,7-dimethyl-2-methylene-: (1)ACD/LogP: 3.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.78; (4)ACD/LogD (pH 7.4): 3.78; (5)ACD/BCF (pH 5.5): 442.19; (6)ACD/BCF (pH 7.4): 442.19; (7)ACD/KOC (pH 5.5): 2724.79; (8)ACD/KOC (pH 7.4): 2724.79; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 52.62 cm³; (15)Molar Volume: 196.1 cm³; (16)Polarizability: 20.86×10^-24cm³; (17)Surface Tension: 26.4 dyne/cm; (18)Density: 0.847 g/cm³; (19)Flash Point: 97.7 °C; (20)Enthalpy of Vaporization: 48.14 kJ/mol; (21)Boiling Point: 244.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0306 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/C(=C)C(CC\C=C(/C)C)C
(2)InChI: InChI=1/C11H18O/c1-9(2)6-5-7-10(3)11(4)8-12/h6,8,10H,4-5,7H2,1-3H3
(3)InChIKey: FAGYGFPZNTYLAO-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C11H18O/c1-9(2)6-5-7-10(3)11(4)8-12/h6,8,10H,4-5,7H2,1-3H3
(5)Std. InChIKey: FAGYGFPZNTYLAO-UHFFFAOYSA-N

Product Name

3,7-DIMETHYL-2-METHYLENE-OCT-6-ENAL

6-Octenal,3,7-dimethyl-2-methylene- Specification

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