-
Name
1,1-DIMETHYL-2-PROPYNYLCARBAMATE
- EINECS
- CAS No. 33060-69-4
- Density 1.072g/cm3
- Solubility
- Melting Point
- Formula C6H9NO2
- Boiling Point 220.3°C at 760 mmHg
- Molecular Weight 127.143
- Flash Point 101.7°C
- Transport Information
- Appearance
- Safety Moderately toxic by intraperitoneal and possibly other routes. When heated to decomposition it emits toxic fumes of NOx. See also CARBAMATES.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-Carbamoyloxy-3-methyl-but-1-in;3-Butyn-2-ol,methyl-,carbamate;Carbavine;Methyl-3-butyn-2-ol carbamate;
- PSA 53.31000
- LogP 1.00730
Carbavine Chemical Properties
Molecule structure of Carbavine (CAS NO.33060-69-4) :
IUPAC Name: 2-methylbut-3-yn-2-yl carbamate
Molecular Weight: 127.14116 g/mol
Molecular Formula: C6H9NO2
Density: 1.072 g/cm3
Boiling Point: 220.3 °C at 760 mmHg
Flash Point: 101.7 °C
Index of Refraction: 1.467
Molar Refractivity: 32.94 cm3
Molar Volume: 118.5 cm3
Polarizability: 13.06×10-24 cm3
Surface Tension: 40.3 dyne/cm
Enthalpy of Vaporization: 45.68 kJ/mol
Vapour Pressure: 0.114 mmHg at 25 °C
XLogP3-AA: 0.2
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 127.063329
MonoIsotopic Mass: 127.063329
Topological Polar Surface Area: 52.3
Heavy Atom Count: 9
Complexity: 163
Canonical SMILES: CC(C)(C#C)OC(=O)N
InChI: InChI=1S/C6H9NO2/c1-4-6(2,3)9-5(7)8/h1H,2-3H3,(H2,7,8)
InChIKey: SDJNOBUNFYNROE-UHFFFAOYSA-N
Carbavine Toxicity Data With Reference
| 1. | ipr-rat LDLo:700 mg/kg | RPTOAN Russian Pharmacology and Toxicology. Translation of FATOAO. 33 (1970),191. | ||
| 2. | unr-mus LD50:1500 mg/kg | RPTOAN Russian Pharmacology and Toxicology. Translation of FATOAO. 33 (1970),191. | ||
| 3. | ipr-rbt LDLo:700 mg/kg | RPTOAN Russian Pharmacology and Toxicology. Translation of FATOAO. 33 (1970),191. |
Carbavine Safety Profile
Moderately toxic by intraperitoneal and possibly other routes. When heated to decomposition it emits toxic fumes of NOx. See also CARBAMATES.
Carbavine Specification
Carbavine (CAS NO.33060-69-4) is also called 4-03-00-00064 (Beilstein Handbook Reference) ; BRN 1756381 ; Methyl-3-butyn-2-ol carbamate ; 3-Butyn-2-ol, methyl-, carbamate . Carbavine (CAS NO.33060-69-4) is moderate toxic. It will produce toxic nitrogen oxide fumes by heat. So the storage environment should be ventilate, low-temperature and dry.
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