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

  • 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-1,3-thiazol-2-amine hydrochloride
  • N-(4-fluorophenyl)-2-[(propan-2-yl)amino]acetamide hydrochloride
  • 2-[(butan-2-yl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide hydrochloride
  • N-tert-butyl-2-(ethylamino)acetamide hydrochloride
  • 5-(Chloromethyl)-2-phenyl-1,3-thiazole hydrochloride
  • 1-(1-Isoquinolin-5-ylsulfonylpiperidin-4-yl)ethanamine;dihydrochloride
  • N-(2,4-dichlorophenyl)-2-(propylamino)acetamide hydrochloride
  • 4-(Chloromethyl)-2-phenyl-1,3-thiazole hydrochloride
  • Stannane, tributyl-1-propenyl-
  • 5-amino-N-(2,6-dimethylphenyl)hexanamide
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