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| CAS No.: | 473-15-4 | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| Name: | beta-Eudesmol | ||||||||
| Article Data: | 1 | ||||||||
| Molecular Structure: | |||||||||
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| Formula: | C15H26O | ||||||||
| Molecular Weight: | 222.371 | ||||||||
| Synonyms: | 2-Naphthalenemethanol,1,2a,3,4,4a,5,6,7,8,8aa-decahydro-a,a,4ab-trimethyl-8-methylene- (7CI);2-Naphthalenemethanol, decahydro-a,a,4a-trimethyl-8-methylene-, [2R-(2a,4aa,8ab)]-;Eudesm-4(14)-en-11-ol (8CI);b-Eudesmol (6CI);(+)-b-Eudesmol;b-Selinenol; | ||||||||
| Density: | 0.95g/cm3 | ||||||||
| Melting Point: | 72-74 ºC | ||||||||
| Boiling Point: | 301.7°Cat760mmHg | ||||||||
| Flash Point: | 108.6°C | ||||||||
| Safety: |
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| PSA: | 20.23000 | ||||||||
| LogP: | 3.92000 | ||||||||
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Specification
The beta-Eudesmol with cas registry number of 473-15-4, belongs to the following product categories: Plant Oils, Toxins, Phenolic Acids & Derivatives. Its systematic name and IUPAC name are the same, which is 2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,
8a-octahydronaphthalen-2-yl]propan-2-ol. When use this chemical, please avoid contact with skin and eyes and do not breathe dust.
Physical properties about this chemical are: (1)ACD/LogP: 4.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.68; (4)ACD/LogD (pH 7.4): 4.68; (5)ACD/BCF (pH 5.5): 2137.71; (6)ACD/BCF (pH 7.4): 2137.71; (7)ACD/KOC (pH 5.5): 8417.33; (8)ACD/KOC (pH 7.4): 8417.33; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 68.45 cm3; (15)Molar Volume: 233.1 cm3; (16)Polarizability: 27.13×10-24cm3; (17)Surface Tension: 33.9 dyne/cm; (18)Enthalpy of Vaporization: 62.85 kJ/mol; (19)Vapour Pressure: 0.000101 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC([C@H]2C[C@H]1C(=C)\CCC[C@@]1(CC2)C)(C)C;
(2)InChI: InChI=1/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,15-/m1/s1;
(3)InChIKey: BOPIMTNSYWYZOC-VNHYZAJKBC;
(4)Std. InChI: InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,15-/m1/s1;
(5)Std. InChIKey: BOPIMTNSYWYZOC-VNHYZAJKSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | > 2gm/kg (2000mg/kg) | Japanese Kokai Tokyo Koho Patents. Vol. #92-13629, |