Basic information
- Name:
1-Butanol, 3-methoxy-
- Superlist Name:
- 3-Methoxy-1-butanol
- CAS No.:
2517-43-3
- Molecular Structure:
- Formula:
- C5H12O2
- Molecular Weight:
- 104.15
- Deleted CAS:
- 89378-53-0
- Synonyms:
- 3-Methoxybutanol;NSC 65580;1-Butanol,3-methoxy-;3-Methoxybutanol;3-methoxybutan-1-ol;1,3-butyleneglycol monomethyl ether;
- EINECS:
- 219-741-8
- Density:
- 0.903 g/cm3
- Melting Point:
- -85 °C
- Boiling Point:
- 162.576 °C at 760 mmHg
- Flash Point:
- 46.667 °C
- Solubility:
- soluble in water
- Appearance:
- Clear colourless liquid
- Risk Codes:
- 10
- Safety Description:
- 16 Details
- Transport Information:
- UN 1987
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Specification
The 3-Methoxy-1-butanol with cas registry number of 2517-43-3, is also called 3-Methoxybutanol ; 1-Butanol,3-methoxy- .The 3-Methoxy-1-butanol belongs to the following product categorie: (1)Alcohols; (2)C2 to C6; (3)Oxygen Compounds .
Physical properties of 3-Methoxy-1-butanol :(1)ACD/LogP: -0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.02; (4)ACD/LogD (pH 7.4): -0.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.14; (8)ACD/KOC (pH 7.4): 23.14; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.408; (14)Molar Refractivity: 28.45 cm3; (15)Molar Volume: 115.3 cm3; (16)Polarizability: 11.27×10-24cm3; (17)Surface Tension: 27.8 dyne/cm; (18)Enthalpy of Vaporization: 46.48 kJ/mol; (19)Vapour Pressure: 0.738 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 3-Methoxy-1-butanol is flammable, so keep it away from sources of ignition.
You can still convert the following datas into molecular structure: (1)SMILES:OCCC(OC)C; (2)InChI:InChI=1/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3; (3)InChIKey:JSGVZVOGOQILFM-UHFFFAOYAT; (4)Std. InChI:InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3; (5)Std. InChIKey:JSGVZVOGOQILFM-UHFFFAOYSA-N .
