Methyl tiglate

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Names

[ CAS No. ]:
6622-76-0

[ Name ]:
Methyl tiglate

[Synonym ]:
Methyltiglate
Tiglic acid methyl
2-methyl-but-2-enoic acid methyl ester
methyl 2-methylcrotonate
EINECS 229-575-8
methylalpha-methylcrotonate
2-Carbomethoxy-2-bute
Methyl-2-methylcrotonat
TIGLIC ACID METHYL ESTER
dimethylacrylic acid methyl ester
MFCD00016654

Chemical & Physical Properties

[ Density]:
0.95 g/mL at 25 °C(lit.)

[ Boiling Point ]:
137-138 °C758 mm Hg(lit.)

[ Molecular Formula ]:
C6H10O2

[ Molecular Weight ]:
114.14200

[ Flash Point ]:
95 °F

[ Exact Mass ]:
114.06800

[ PSA ]:
26.30000

[ LogP ]:
1.12560

[ Index of Refraction ]:
n20/D 1.436(lit.)

[ Storage condition ]:
Flammables area

[ Stability ]:
Stable. Flammable. Incompatible with strong oxidising agents.

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EM9254600
CHEMICAL NAME :
2-Butenoic acid, 2-methyl-, methyl ester, (E)-
CAS REGISTRY NUMBER :
6622-76-0
BEILSTEIN REFERENCE NO. :
1720455
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C6-H10-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,387,1988
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,387,1988

Safety Information

[ Risk Phrases ]:
R10

[ Safety Phrases ]:
S16

[ RIDADR ]:
UN 3272 3/PG 3

[ WGK Germany ]:
2

[ RTECS ]:
EM9254600

[ Packaging Group ]:
III

[ Hazard Class ]:
3

Synthetic Route

Precursor & DownStream

Precursor

  • Methanol
  • Tiglic acid
  • ch3cho
  • Methyl 2-(triphenylphosphoranylidene)propanoate
  • methyl 2-bromomethylbut-2-enoate
  • carbon monoxide
  • (E)-crotyl carbonate
  • but-3-en-2-yl methyl carbonate
  • 4-Benzyloxyphenol
  • methyl (2S)-2-hydroxy-2-methylbutanoate

DownStream

  • Mequinol
  • Geranyl Tiglate
  • Methyl 3-methyl-4-oxopentanoate
  • methyl 2-formyl-2-methylbutanoate
  • methyl 2-hydroxy-2-methyl-3-oxobutanoate
  • (1-methoxy-2-methylbuta-1,3-dienoxy)-trimethylsilane
  • (2-hydroxy-2-methylbut-3-enyl) 2-methylprop-2-enoate
  • 2-ethenyl-2-methyl-5-trimethylsilylpentanoic acid
  • 2-ethenyl-2-methylcyclopentan-1-one

Related Compounds

  • benzyl methyl tiglate
  • geranyl methyl tiglate
  • methyl 6-[(2-methylquinolin-6-yl)amino]-6-oxohexanoate
  • Methyl 1-O,3-O,4-O,6-O-tetramethyl-β-D-fructofuranoside
  • Methyl 5-acetamido-5-methylhexanoate
  • methyl 5-hydroxy-6-nitrohexanoate