Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Methyloxetan |
EINECS | N/A |
CAS No. | 2167-39-7 | Density | 0.879 g/cm3 |
PSA | 9.23000 | LogP | 0.79520 |
Solubility | N/A | Melting Point |
60 °C |
Formula | C4H8O | Boiling Point | 59 °C at 760 mmHg |
Molecular Weight | 72.1069 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Oxetane, 2-methyl-; |
Article Data | 7 |
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 |