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4-Penten-2-ol,3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-

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Name

4-Penten-2-ol,3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-

EINECS 411-580-3
CAS No. 107898-54-4 Density 0.933 g/cm3
PSA 20.23000 LogP 3.94200
Solubility N/A Melting Point N/A
Formula C15H26O Boiling Point 299.7 °C at 760 mmHg
Molecular Weight 222.37 Flash Point 104.8 °C
Transport Information N/A Appearance N/A
Safety 24/25-37-60-61 Risk Codes 38-50/53
Molecular Structure Molecular Structure of 107898-54-4 (3,3-Dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-ol) Hazard Symbols IrritantXi,DangerousN
Synonyms

3,3-Dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-ol;Polysantol;

 

4-Penten-2-ol,3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)- Specification

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

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