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CAS No.: | 107898-54-4 |
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Name: | 3,3-Dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-ol |
Molecular Structure: | |
Formula: | C15H26O |
Molecular Weight: | 222.37 |
Synonyms: | 3,3-Dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-ol;Polysantol; |
EINECS: | 411-580-3 |
Density: | 0.933 g/cm3 |
Boiling Point: | 299.7 °C at 760 mmHg |
Flash Point: | 104.8 °C |
Hazard Symbols: | Xi,N |
Risk Codes: | 38-50/53 |
Safety: | 24/25-37-60-61 |
PSA: | 20.23000 |
LogP: | 3.94200 |
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This chemical is called 4-Penten-2-ol,3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-, and its systematic name is 3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol. With the molecular formula of C15H26O, its CAS registry number is 107898-54-4.
Other characteristics of the 4-Penten-2-ol,3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)- can be summarised as followings: (1)ACD/LogP: 4.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.78; (4)ACD/LogD (pH 7.4): 4.78; (5)ACD/BCF (pH 5.5): 2520.37; (6)ACD/BCF (pH 7.4): 2520.37; (7)ACD/KOC (pH 5.5): 9470.3; (8)ACD/KOC (pH 7.4): 9470.3; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 72.42 cm3; (15)Molar Volume: 238.2 cm3; (16)Polarizability: 28.71×10-24cm3; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 0.933 g/cm3; (19)Flash Point: 104.8 °C; (20)Enthalpy of Vaporization: 62.61 kJ/mol; (21)Boiling Point: 299.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000117 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Its container must be disposed of as hazardous waste. Avoid releasing it to the environment. In addition, it's irritating to skin. Avoid contacting with skin and eyes. Refer to special instructions / safety data sheets.
You can still convert the following datas into molecular structure:
1.SMILES: CC1=CCC(C1(C)C)C=CC(C)(C)C(C)O
2.InChI: InChI=1/C15H26O/c1-11-7-8-13(15(11,5)6)9-10-14(3,4)12(2)16/h7,9-10,12-13,16H,8H2,1-6H3
3.InChIKey: QZFSNJAQFWEXEA-UHFFFAOYAX