1-(5-Methyl-2-thienyl)ethanone

Modify Date: 2024-01-03 00:33:10

1-(5-Methyl-2-thienyl)ethanone Structure
1-(5-Methyl-2-thienyl)ethanone structure
Common Name 1-(5-Methyl-2-thienyl)ethanone
CAS Number 13679-74-8 Molecular Weight 140.203
Density 1.1±0.1 g/cm3 Boiling Point 234.9±20.0 °C at 760 mmHg
Molecular Formula C7H8OS Melting Point 24-28 °C(lit.)
MSDS USA Flash Point 95.8±21.8 °C

 Use of 1-(5-Methyl-2-thienyl)ethanone


2-Acetyl-5-methylthiophene is a constituent of coffee aroma.

 Names

Name 2-Acetyl-5-methylthiophene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 234.9±20.0 °C at 760 mmHg
Melting Point 24-28 °C(lit.)
Molecular Formula C7H8OS
Molecular Weight 140.203
Flash Point 95.8±21.8 °C
Exact Mass 140.029587
PSA 45.31000
LogP 1.71
Vapour Pressure 0.1±0.5 mmHg at 25°C
Index of Refraction 1.536

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OB4972000
CHEMICAL NAME :
Ketone, methyl 5-methyl-2-thienyl
CAS REGISTRY NUMBER :
13679-74-8
BEILSTEIN REFERENCE NO. :
0110854
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H8-O-S
MOLECULAR WEIGHT :
140.21
WISWESSER LINE NOTATION :
T5SJ B1 EV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
230 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
REFERENCE :
APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1943- Volume(issue)/page/year: 5,16,1947

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xn: Harmful;Xi: Irritant;
Risk Phrases R20/21/22
Safety Phrases S36/37-S22
RIDADR UN 3335 9
WGK Germany 3
RTECS OB4972000
HS Code 2934999090

 Synthetic Route

~97%

1-(5-Methyl-2-thienyl)ethanone Structure

1-(5-Methyl-2-t...

CAS#:13679-74-8

Literature: Altenhoener, Kai; Lamm, Jan-Hendrik; Mattay, Jochen European Journal of Organic Chemistry, 2010 , # 31 p. 6033 - 6037

~67%

1-(5-Methyl-2-thienyl)ethanone Structure

1-(5-Methyl-2-t...

CAS#:13679-74-8

Literature: SUMITOMO SEIKA CHEMICALS CO., LTD. Patent: EP1695972 A1, 2006 ; Location in patent: Page/Page column 7 ;

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Articles9

More Articles
Acylation studies in the thiophene and furan series. IV. Strong inorganic oxyacids as catalysts. Hartough HD and Kosak AI.

J. Am. Chem. Soc. 69(12) , 3093-3096, (1947)

Palladium-catalysed direct 3-or 4-arylation of thiophene derivatives using aryl bromides. Dong JJ, et al.

Tetrahedron 50(23) , 2778-2781, (2009)

Efficient guaiazulene and chamazulene syntheses involving [6+4] cycloadditions. Mukherjee D, et al.

J. Am. Chem. Soc. 1010(1) , 251-252, (1979)

 Synonyms

Thiophene, 2-acetyl-5-methyl-
1-(5-Meth​yl-2-thie​nyl)ethanone
1-(5-Methyl-2-thienyl)ethanone
2-Acetyl-5-methylthiophene
T5SJ BV1 E1
Ethanone, 1-(5-methyl-2-thienyl)-
1-(5-methylthien-2-yl)ethanone
Methyl 5-methyl-2-thienyl ketone
1-(5-Methyl-2-thienyl)ethan-1-one
1-(5-methylthiophen-2-yl)ethanone
MFCD00014529
EINECS 237-181-2
Ketone, methyl 5-methyl-2-thienyl
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