CAS No.3581-91-7,4,5-Dimethylthiazole Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3581-91-7
Name:	4,5-Dimethylthiazole
Article Data:	29

Formula:	C₅H₇NS
Molecular Weight:	113.183
Synonyms:	FEMA No. 3274;Thiazole, 4,5-dimethyl-;4,5-Dimethyl-1,3-thiazole;
EINECS:	222-703-3
Density:	1.081 g/cm³
Melting Point:	83-84 °C
Boiling Point:	158.1 °C at 760 mmHg
Flash Point:	51.1 °C
Appearance:	Colorless to light yellow liquid
Hazard Symbols:	Xn, Xi, F
Risk Codes:	10-22-37/38-41-36/37/38
Safety:	16-26-39-37/39-36/37/39
Transport Information:	UN 1993 3/PG 3
PSA:	41.13000
LogP:	1.75990

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Chemistry

Molecular Structure of 4,5-Dimethylthiazole (CAS NO.3581-91-7):

IUPAC Name: 4,5-Dimethyl-1,3-thiazole
Canonical SMILES: CC1=C(SC=N1)C
InChI: InChI=1S/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3
InChIKey: UWSONZCNXUSTKW-UHFFFAOYSA-N
Molecular Weight: 113.18078 [g/mol]
Molecular Formula: C₅H₇NS
XLogP3-AA: 1.8
H-Bond Donor: 0
H-Bond Acceptor: 1
EINECS: 222-703-3
Index of Refraction: 1.53
Molar Refractivity: 32.37 cm³
Molar Volume: 104.6 cm³
Surface Tension: 37.9 dyne/cm
Density: 1.081 g/cm³
Flash Point: 51.1 °C
Enthalpy of Vaporization: 37.85 kJ/mol
Boiling Point: 158.1 °C at 760 mmHg
Vapour Pressure: 3.46 mmHg at 25 °C
Appearance: Colorless to light yellow liquid
Melting Point: 83-84 °C
Product Categories: Heterocyclic Compounds; Thiazoles; thiazole Flavor; Alphabetical Listings; C-D; Flavors and Fragrances; Building Blocks; Heterocyclic Building Blocks

Uses

4,5-Dimethylthiazole (CAS NO.3581-91-7) can be used as food additives.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	960mg/kg (960mg/kg)	SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 95, 1990.

Safety Profile

Safety Information of 4,5-Dimethylthiazole (CAS NO.3581-91-7):
Hazard Codes: Harmful Xn, Irritant Xi,F
Risk Statements: 10-22-37/38-41-36/37/38
R10:Flammable.
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin.
R36/37/38:Irritating to eyes, respiratory system and skin.
R41:Risk of serious damage to the eyes.
Safety Statements: 16-26-39-37/39-36/37/39
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
S39:Wear eye / face protection.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
RTECS: XJ4380000
HazardClass: 3
PackingGroup: III

Specification

4,5-Dimethylthiazole (CAS NO.3581-91-7), its Synonyms are FEMA No. 3274 ; Thiazole, 4,5-dimethyl- ; 4,5-Dimethyl-1,3-thiazole .