2-Methyloxetan supplier | CasNO.2167-39-7

Name
1,3-Epoxybutane
EINECS
CAS No. 2167-39-7
Article Data7
CAS DataBase
Density 0.879 g/cm³
Solubility
Melting Point 60 °C
Formula C₄H₈O
Boiling Point 59 °C at 760 mmHg
Molecular Weight 72.1069
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Oxetane, 2-methyl-;
PSA 9.23000
LogP 0.79520

2-Methyloxetan Specification

The 2-Methyloxetan, with the CAS registry number of 2167-39-7, is also known as Oxetane, 2-methyl-. Its molecular formula is C₄H₈O and molecular weight is 72.105720. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties about the 2-Methyloxetan are: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.25; (4)ACD/LogD (pH 7.4): 0.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.77; (8)ACD/KOC (pH 7.4): 32.77; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.406; (14)Molar Refractivity: 20.14 cm³; (15)Molar Volume: 82 cm³; (16)Surface Tension: 25.3 dyne/cm; (17)Density: 0.879 g/cm³; (18)Enthalpy of Vaporization: 28.91 kJ/mol; (19)Boiling Point: 59 °C at 760 mmHg; (20)Vapour Pressure: 217 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O1C(C)CC1
(2) InChI: InChI=1/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3
(3) InChIKey: FZIIBDOXPQOKBP-UHFFFAOYAT

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	1500mg/kg (1500mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC	Journal of Medicinal and Pharmaceutical Chemistry. Vol. 1, Pg. 355, 1959. Link to PubMed

Product Name

1,3-Epoxybutane

2-Methyloxetan Specification

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