Methanol, 1-butoxy- supplier

Name
butoxymethanol
EINECS 221-395-8
CAS No. 3085-35-6
Article Data2
CAS DataBase
Density 0.906 g/cm³
Solubility
Melting Point
Formula C₅H₁₂O₂
Boiling Point 140.2 °C at 760 mmHg
Molecular Weight 104.149
Flash Point 49.9 °C
Transport Information UN 1993
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methanol,butoxy- (7CI,8CI,9CI);Butyl alcohol hemiformal;Butyl hemiformal;Formit B;Formit NB;Methanol, butoxy-;
PSA 29.46000
LogP 0.75290

Methanol, 1-butoxy- Specification

The Methanol, 1-butoxy-, with the CAS registry number 3085-35-6 and EINECS registry number 221-395-8, has the systematic name and IUPAC name of butoxymethanol. And the molecular formula of the chemical is C₅H₁₂O₂.

The characteristics of Methanol, 1-butoxy- are as followings: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.72; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 2.06; (6)ACD/BCF (pH 7.4): 2.06; (7)ACD/KOC (pH 5.5): 58.48; (8)ACD/KOC (pH 7.4): 58.48; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.41; (14)Molar Refractivity: 28.49 cm³; (15)Molar Volume: 114.9 cm³; (16)Polarizability: 11.29×10^-24cm³; (17)Surface Tension: 29.3 dyne/cm; (18)Density: 0.906 g/cm³; (19)Flash Point: 49.9 °C; (20)Enthalpy of Vaporization: 43.98 kJ/mol; (21)Boiling Point: 140.2 °C at 760 mmHg; (22)Vapour Pressure: 2.55 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCOCCCC
(2)InChI: InChI=1/C5H12O2/c1-2-3-4-7-5-6/h6H,2-5H2,1H3
(3)InChIKey: CRHLZRRTZDFDAJ-UHFFFAOYAB

Product Name

butoxymethanol

Methanol, 1-butoxy- Specification

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