Basic Information | Post buying leads | Suppliers |
Name |
7-Nonen-3-ol,2,4,8-trimethyl- |
EINECS | 248-361-5 |
CAS No. | 27243-08-9 | Density | 0.842 g/cm3 |
PSA | 20.23000 | LogP | 3.38580 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H24O | Boiling Point | 253.6 °C at 760 mmHg |
Molecular Weight | 184.322 | Flash Point | 116.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,4,8-trimethylnon-7-en-3-ol;7-nonen-3-ol, 2,4,8-trimethyl-; |
The 7-Nonen-3-ol,2,4,8-trimethyl-, with the CAS registry number 27243-08-9 and EINECS registry number 248-361-5, has the systematic name and IUPAC name of 2,4,8-trimethylnon-7-en-3-ol. And the molecular formula of the chemical is C12H24O.
The characteristics of 7-Nonen-3-ol,2,4,8-trimethyl- are as followings: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/LogD (pH 7.4): 4.15; (5)ACD/BCF (pH 5.5): 832.87; (6)ACD/BCF (pH 7.4): 832.87; (7)ACD/KOC (pH 5.5): 4286.95; (8)ACD/KOC (pH 7.4): 4286.95; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.451; (14)Molar Refractivity: 58.95 cm3; (15)Molar Volume: 218.6 cm3; (16)Polarizability: 23.37×10-24cm3; (17)Surface Tension: 27.7 dyne/cm; (18)Density: 0.842 g/cm3; (19)Flash Point: 116.5 °C; (20)Enthalpy of Vaporization: 57.04 kJ/mol; (21)Boiling Point: 253.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00279 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(C(C)C)C(CC/C=C(/C)C)C
(2)InChI: InChI=1/C12H24O/c1-9(2)7-6-8-11(5)12(13)10(3)4/h7,10-13H,6,8H2,1-5H3
(3)InChIKey: QVHCKTZIQCDTFT-UHFFFAOYAH