(R)-(-)-Falcarinol supplier | CasNO.21852-80-2

Name
1,9-Heptadecadiene-4,6-diyn-3-ol
EINECS
CAS No. 21852-80-2
Article Data3
CAS DataBase
Density 0.931 g/cm³
Solubility
Melting Point
Formula C₁₇H₂₄O
Boiling Point 370.58 °C at 760 mmHg
Molecular Weight 244.377
Flash Point 163.37 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,9-Heptadecadiene-4,6-diyn-3-ol,(Z)-(-)- (8CI);1,9-Heptadecadiene-4,6-diyn-3-ol, [R-(Z)]-;Panaxynol (7CI);(-)-Falcarinol;(-)-Panaxynol;(cis)-(-)-3-Hydroxy-1,9-heptadecadien-4,6-diyne;Carotatoxin;(3R,9Z)-Heptadeca-1,9-diene-4,6-diyn-3-ol;
PSA 20.23000
LogP 3.84690

(R)-(-)-Falcarinol Specification

The (R)-(-)-Falcarinol, with the CAS registry number 21852-80-2, is also known as (3R,9Z)-Heptadeca-1,9-diene-4,6-diyn-3-ol. This chemical's molecular formula is C₁₇H₂₄O and molecular weight is 244.37. What's more, its systematic name is (3R,9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol. It is an acetylenic hydrocarbon, similar to cicutoxin, derived from oleic acid in Araliaceae, Umbelliferae and other plants. It can cause contact dermatitis in some individuals, and panaxynol is the 3,4-cis-8,9-trans isomer of falcarinol.

Physical properties of (R)-(-)-Falcarinol are: (1)ACD/LogP: 6.257; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.26; (4)ACD/LogD (pH 7.4): 6.26; (5)ACD/BCF (pH 5.5): 33549.11; (6)ACD/BCF (pH 7.4): 33547.30; (7)ACD/KOC (pH 5.5): 60404.04; (8)ACD/KOC (pH 7.4): 60400.79; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 78.095 cm³; (15)Molar Volume: 262.351 cm³; (16)Polarizability: 30.959×10^-24cm³; (17)Surface Tension: 38.88 dyne/cm; (18)Density: 0.931 g/cm³; (19)Flash Point: 163.37 °C; (20)Enthalpy of Vaporization: 71.452 kJ/mol; (21)Boiling Point: 370.58 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C(#CC#C[C@H](O)\C=C)C\C=C/CCCCCCC
(2)Std. InChI: InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-/t17-/m1/s1
(3)Std. InChIKey: UGJAEDFOKNAMQD-QXPKXGMISA-N

Product Name

1,9-Heptadecadiene-4,6-diyn-3-ol

(R)-(-)-Falcarinol Specification

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