3-Buten-2-ol

Reported in EPA TSCA Inventory.

The Methyl vinyl carbinol is an organic compound with the formula C₄H₈O. The IUPAC name of this chemical is but-3-en-2-ol. With the CAS registry number 598-32-3, it is also named as Vinylethyl alcohol. The product's classification codes  are Human Data; Mutation data; Skin / Eye Irritant. Besides, it is clear colorless liquid, which should be stored in a closed and cool place. It is used for organic synthesis.

Physical properties about Methyl vinyl carbinol are: (1)ACD/LogP: 0.52; (2)ACD/LogD (pH 5.5): 0.52; (3)ACD/LogD (pH 7.4): 0.52; (4)ACD/BCF (pH 5.5): 1.45; (5)ACD/BCF (pH 7.4): 1.45; (6)ACD/KOC (pH 5.5): 45.49; (7)ACD/KOC (pH 7.4): 45.49; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.412; (13)Molar Refractivity: 21.79 cm³; (14)Molar Volume: 87.5 cm³; (15)Polarizability: 8.64×10^-24cm³; (16)Surface Tension: 24.3 dyne/cm; (17)Density: 0.823 g/cm³; (18)Flash Point: 16.7 °C; (19)Enthalpy of Vaporization: 39.26 kJ/mol; (20)Boiling Point: 97.3 °C at 760 mmHg; (21)Vapour Pressure: 24.4 mmHg at 25°C.

Preparation: this chemical can be prepared by (2S,3S)-3-methylglycidyl toluene-p-sulfonate . This reaction will need reagent zinc-copper couple, NaI and solvent ethane-1,2-diol. The reaction time is 2 hours with reaction temperature of 70 °C. The yield is about 67%.

Uses of Methyl vinyl carbinol: it can be used to produce 3-hydroxy-3-methyl-2-oxo-hept-5-enoic acid methyl ester by heating. It will need reagent Rh₂(OAc)₄ and benzene .

When you are using this chemical, please be cautious about it as the following:
It is highly flammable and harmful by inhalation. Please keep container tightly closed and in a well-ventilated place and keep away from sources of ignition - No smoking. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(\C=C)C
(2)InChI: InChI=1/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3
(3)InChIKey: MKUWVMRNQOOSAT-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3
(5)Std. InChIKey: MKUWVMRNQOOSAT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
human	TCLo	inhalation	50ppm (50ppm)	SENSE ORGANS AND SPECIAL SENSES: TUMORS: OLFACTION SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE	Journal of Industrial Hygiene and Toxicology. Vol. 28, Pg. 262, 1946.