ChemicalBook CAS DataBase List 554-14-3

554-14-3

Name	2-Methylthiophene
CAS	554-14-3
EINECS(EC#)	209-063-0
Molecular Formula	C5H6S
MDL Number	MFCD00005451
Molecular Weight	98.17
MOL File	554-14-3.mol

Chemical Properties

Appearance	clear colorless to slightly yellow liquid
Melting point	-63 °C (lit.)
Boiling point	113 °C (lit.)
density	1.014 g/mL at 25 °C(lit.)
vapor pressure	47.6 mm Hg ( 37.7 °C)
refractive index	n20/D 1.52(lit.)
Fp	45 °F
storage temp.	Flammables area
solubility	immiscible
form	Liquid
color	Clear colorless to yellow
Specific Gravity	1.025 (20℃)
Odor	at 0.01 % in propylene glycol. sulfurous alliaceous onion roasted green
Odor Type	sulfurous
Water Solubility	immiscible
Specific Heat Capacity	Cp(liquid):149.8J/(g·K),at 25℃
BRN	103734
Henry's Law Constant	4.1×10^-3 mol/(m³Pa) at 25℃, Brockbank (2013)
InChI	1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3
InChIKey	XQQBUAPQHNYYRS-UHFFFAOYSA-N
SMILES	Cc1cccs1
LogP	2.330
CAS DataBase Reference	554-14-3(CAS DataBase Reference)
NIST Chemistry Reference	Thiophene, 2-methyl-(554-14-3)
EPA Substance Registry System	554-14-3(EPA Substance)

Safety Data

Symbol(GHS)	GHS02
Signal word	Danger
Hazard statements	H225
Precautionary statements	P210-P370+P378-P403+P235
Hazard Codes	F,Xn,Xi
Risk Statements	R11:Highly Flammable. R22:Harmful if swallowed. R36/37/38:Irritating to eyes, respiratory system and skin . R37:Irritating to the respiratory system. less more
Safety Statements	S16:Keep away from sources of ignition-No smoking . S37/39:Wear suitable gloves and eye/face protection . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . S33:Take precautionary measures against static discharges . S7/9:Keep container tightly closed and in a well-ventilated place . less more
RIDADR	UN 1993 3/PG 2
WGK Germany	3
RTECS	XM9625000
F	10-13
TSCA	T
HazardClass	3
PackingGroup	II
HS Code	29349990
Storage Class	3 - Flammable liquids
Hazard Classifications	Flam. Liq. 2

Raw materials And Preparation Products

Hazard Information

Chemical Properties

clear colorless to slightly yellow liquid

Uses

2-Methylthiophene, is used as a flavoring agent that naturally occurs in grilled and roasted beef, papaya, cooked shrimp, whiskey, and in trace amounts in roasted chicken;

Application

2-Methylthiophene is a feasible raw material for the production of several of the important 2-substituted thiophenes. It may be used to manufacture 2-chloromethylthiophene (2-thenyl chloride), but this and further syntheses must be completed in situ, because of its instability.

Definition

ChEBI: 2-methylthiophene is a member of the class of thiophenes that is thiophene in which the hydrogen atom at position 2 is substituted by a methyl group. It has a role as a flavouring agent and a Maillard reaction product. It is a member of thiophenes and a volatile organic compound. It is functionally related to a thiophene.

Production Methods

2-Methylthiophene is commercially produced to 98 wt% purity by VP cyclization.

Synthesis Reference(s)

The Journal of Organic Chemistry, 14, p. 638, 1949 DOI: 10.1021/jo01156a016
Tetrahedron Letters, 22, p. 2443, 1981 DOI: 10.1016/S0040-4039(01)92928-4

General Description

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma-aldrich.com.

storage

Store at -20°C

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

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