Elemicin

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Names

[ CAS No. ]:
487-11-6

[ Name ]:
Elemicin

[Synonym ]:
1,2,3-trimethoxy-5-prop-2-enylbenzene

Chemical & Physical Properties

[ Density]:
1.011 g/cm3

[ Boiling Point ]:
279.8ºC at 760 mmHg

[ Molecular Formula ]:
C12H16O3

[ Molecular Weight ]:
208.25400

[ Flash Point ]:
92.6ºC

[ Exact Mass ]:
208.11000

[ PSA ]:
27.69000

[ LogP ]:
2.44090

[ Vapour Pressure ]:
0.00666mmHg at 25°C

[ Index of Refraction ]:
1.496

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY2801000
CHEMICAL NAME :
Benzene, 5-allyl-1,2,3-trimethoxy-
CAS REGISTRY NUMBER :
487-11-6
BEILSTEIN REFERENCE NO. :
1912664
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H16-O3
MOLECULAR WEIGHT :
208.28

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TEST SYSTEM :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
REFERENCE :
CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 5,1613,1984

Safety Information

[ Hazard Codes ]:
Xi

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Allyl acetate
  • 5-Bromo-1,2,3-trimethoxybenzene
  • 2,6-Dimethoxy-4-allylphenol
  • methyl iodide
  • allyl bromide
  • 3,4,5-Trimethoxyphenylboronic acid
  • Pyrocatechol
  • Dimethyl sulfate
  • 2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • Syringol

DownStream

  • 3,4,5-Trimethoxyphenylacetic acid
  • 2-(3,4,5-trimethoxyphenyl)acetaldehyde
  • 3,4,5-Trimethoxybenzaldehyde
  • 2,6-Dimethoxy-4-allylphenol
  • demethylisoheterotropanone
  • isoheterotropanone
  • 3,4,5-trimethoxyphenylacetonitrile
  • Trimethylgallic acid
  • mescaline
  • 1,3-dimethoxy-5-propyl-benzene

Related Compounds

  • Ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)-3,3,5,5-tetradeuteriopiperidine-1-carboxylate
  • 2-(1-Phenylvinyl)naphthalen-1-amine
  • tert-butyl 4-(3-fluoro-5-hydroxyphenyl)-3,6-dihydropyridine-1(2H)-carboxylate
  • 4-Methyl-2-(2-methyloxiran-2-yl)pyridine
  • 1-trityl-1H-pyrazole-4-sulfonyl chloride
  • 2,4-Difluoro-6-[(4-methylbenzenesulfonyl)oxy]benzoic acid
  • Methyl 3-oxo-3-(1-phenylcyclopropyl)propanoate
  • 6-Amino-1,1-dimethylspiro[3.3]heptan-2-one
  • 7-(7-(8-Ethyl-7-fluoro-3-hydroxynaphthalen-1-YL)-8-fluoro-2-(((2R,7AS)-2-fluorotetrahydro-1H-pyrrolizin-7A(5H)-YL)methoxy)pyrido[4,3-D]pyrimidin-4-YL)-2-imino-2L6-thia-7-azaspiro[4.5]decane 2-oxide
  • Methyl 3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanoate
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