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| CAS No.: | 6214-45-5 |
|---|---|
| Name: | 4-Butoxybenzyl alcohol |
| Molecular Structure: | |
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| Formula: | C11H16O2 |
| Molecular Weight: | 180.247 |
| Synonyms: | Benzylalcohol, p-butoxy- (6CI,7CI,8CI);(4-Butoxyphenyl)methanol;4-Butoxybenzylalcohol;NSC 69089;p-Butoxybenzyl alcohol; |
| EINECS: | 228-284-3 |
| Density: | 1.019 g/cm3 |
| Melting Point: | 29-32 °C(lit.) |
| Boiling Point: | 295.1 °C at 760 mmHg |
| Flash Point: | 124.1 °C |
| Appearance: | white crystalline mass |
| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| PSA: | 29.46000 |
| LogP: | 2.35780 |
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Specification
The 4-Butoxybenzyl alcohol, with the CAS registry number 6214-45-5, is also known as Benzenemethanol, 4-butoxy-. It belongs to the product categories of Benzhydrols, Benzyl & Special Alcohols; Alcohols; C9 to C30; Oxygen Compounds. Its EINECS number is 228-284-3. This chemical's molecular formula is C11H16O2 and molecular weight is 180.25. Its IUPAC name is called (4-butoxyphenyl)methanol. This chemical is white crystalline mass. When you are using this chemical, please be cautious about it. You must avoid contacting it with skin and eyes.
Physical properties of 4-Butoxybenzyl alcohol: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 50.52; (6)ACD/BCF (pH 7.4): 50.52; (7)ACD/KOC (pH 5.5): 576.68; (8)ACD/KOC (pH 7.4): 576.68; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.514; (13)Molar Refractivity: 53.28 cm3; (14)Molar Volume: 176.7 cm3; (15)Surface Tension: 37.2 dyne/cm; (16)Density: 1.019 g/cm3; (17)Melting Point: 29-32 °C(lit.); (18)Flash Point: 124.1 °C; (19)Enthalpy of Vaporization: 56.48 kJ/mol; (20)Boiling Point: 295.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000705 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCOC1=CC=C(C=C1)CO
(2)InChI: InChI=1S/C11H16O2/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7,12H,2-3,8-9H2,1H3
(3)InChIKey: MGKNBDBZIKPUFM-UHFFFAOYSA-N