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Cas Database |
| Name |
3-Furanmethanol,5-(phenylmethyl)- |
EINECS | 243-802-8 |
| CAS No. | 20416-09-5 | Density | 1.138 g/cm3 |
| PSA | 33.37000 | LogP | 2.36270 |
| Solubility | N/A | Melting Point |
36-39 °C |
| Formula | C12H12O2 | Boiling Point | 210.081 °C at 760 mmHg |
| Molecular Weight | 188.226 | Flash Point | 80.854 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-Furanmethanol,5-benzyl- (8CI);(5-Benzyl-3-furyl)methan-1-ol;2-Benzyl-4-furanmethanol;2-Benzyl-4-hydroxymethylfuran;5-(Phenylmethyl)-3-furanmethanol;5-Benzyl-3-furanmethanol;5-Benzyl-3-furfuryl alcohol;5-Benzyl-3-furylmethanol;5-Benzyl-3-furylmethyl alcohol;5-Benzyl-3-hydroxymethylfuran; |
Article Data | 7 |
3-Furanmethanol,5-(phenylmethyl)- Specification
The 3-Furanmethanol, 5-(phenylmethyl)-, with the CAS registry number 20416-09-5, is also known as (5-Benzyl-3-furyl)methanol. Its EINECS registry number is 243-802-8. This chemical's molecular formula is C12H12O2 and molecular weight is 188.22. What's more, its IUPAC name is (5-Benzylfuran-2-yl)methanol.
Physical properties about 3-Furanmethanol, 5-(phenylmethyl)- are: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 33.37 Å2; (7)Index of Refraction: 1.57; (8)Molar Refractivity: 54.318 cm3; (9)Molar Volume: 165.446 cm3; (10)Polarizability: 21.533×10-24 cm3; (11)Surface Tension: 43.891 dyne/cm; (12)Density: 1.138 g/cm3; (13)Flash Point: 80.854 °C; (14)Enthalpy of Vaporization: 47.185 kJ/mol; (15)Boiling Point: 210.081 °C at 760 mmHg; (16)Vapour Pressure: 0.117 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCc2cc(Cc1ccccc1)oc2
(2) InChI: InChI=1/C12H12O2/c13-8-11-7-12(14-9-11)6-10-4-2-1-3-5-10/h1-5,7,9,13H,6,8H2
(3) InChIKey: AFEOKIGLYCQHAZ-UHFFFAOYAD
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 75mg/kg (75mg/kg) | Journal of Agricultural and Food Chemistry. Vol. 23, Pg. 106, 1975. |
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