CAS No.4426-51-1,4-methyl-1,3,2-dioxathiane 2-oxide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4426-51-1
Name:	4-methyl-1,3,2-dioxathiane 2-oxide
Article Data:	12
Cas Database

Formula:	C4H8 O3 S
Molecular Weight:	136.172
Synonyms:	1,3-Butanediol,cyclic sulfite (7CI,8CI); 4-Methyl-1,3,2-dioxathiane 2-oxide;4-Methyl-2-oxo-1,3,2-dioxathiane; 4-Methyltrimethylene sulfite; NSC 60195
EINECS:	224-608-2
Density:	1.36 g/cm³
Melting Point:	5℃
Boiling Point:	185 °C at 760 mmHg
Flash Point:	69.3 °C
Safety:	Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of SO_x. See also SULFITES.
PSA:	54.74000
LogP:	1.25620

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Chemistry

IUPAC Name: 4-Methyl-1,3,2-dioxathiane 2-oxide
Synonyms of 4-Methyl trimethylene sulfite (CAS NO.4426-51-1): 1,3,2-Dioxathiane, 4-methyl, 2-oxide ; 1,3-Butylene sulphite ; 1,3,2-Dioxathiane, 4-methyl-, 2-oxide (9CI) ; 1,3-Butanediol, cyclic sulfite ; 4-Methyl-1,3,2-dioxathiane 2-oxide
CAS NO: 4426-51-1
Molecular Formula: C₄H₈O₃S
Molecular Weight : 136.1695
Molecular Structure:
EINECS: 224-608-2
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 54.74Å²
Index of Refraction: 1.529
Molar Refractivity: 30.85 cm³
Molar Volume: 99.9 cm³
Surface Tension: 54.9 dyne/cm
Density: 1.36 g/cm³
Flash Point: 69.3 °C
Enthalpy of Vaporization: 40.4 kJ/mol
Boiling Point: 185 °C at 760 mmHg
Vapour Pressure: 0.976 mmHg at 25°C

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD50	intravenous	175mg/kg (175mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Progress Report Submitted to the National Cancer Institute by South Shore Analytical and Research Laboratory.Vol. -, Pg. 57, 1964.
mouse	LD50	intraperitoneal	300mg/kg (300mg/kg)		Progress Report Submitted to the National Cancer Institute by South Shore Analytical and Research Laboratory.Vol. -, Pg. 57, 1964.
mouse	LD50	intravenous	300mg/kg (300mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Progress Report Submitted to the National Cancer Institute by South Shore Analytical and Research Laboratory.Vol. -, Pg. 57, 1964.
rat	LD50	intraperitoneal	300mg/kg (300mg/kg)		Progress Report Submitted to the National Cancer Institute by South Shore Analytical and Research Laboratory.Vol. -, Pg. 57, 1964.
rat	LD50	intravenous	300mg/kg (300mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Progress Report Submitted to the National Cancer Institute by South Shore Analytical and Research Laboratory.Vol. -, Pg. 57, 1964.

Safety Profile

Poison by intravenous and intraperitoneal routes. When 4-Methyl trimethylene sulfite (CAS NO.4426-51-1) is heated to decomposition, it emits toxic fumes of SO_x. See also SULFITES.