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

  • 5-bromo-1-[(tert-butoxy)carbonyl]-1H-indazole-3-carboxylic acid
  • 5-Bromo-2-[3-[(tetrahydro-2H-pyran-2-yl)oxy]-1-propyn-1-yl]pyridine
  • 5-Bromo-N-(3-methyl-3-oxetanyl)-3-nitro-2-pyridinamine
  • 5-Bromo-N2-(3-methyl-3-oxetanyl)-2,3-pyridinediamine
  • 5-Bromo-N2-[(3-methyl-3-oxetanyl)methyl]-2,3-pyridinediamine
  • 5-Chloropyrazolo[1,5-a]pyridin-7-amine
  • 5-Ethyl-2-fluoro-4-methoxybenzonitrile
  • 5-Fluoro-1,2-benzisothiazole-3-carbonyl chloride
  • 5-Fluoro-2-[2-[tris(1-methylethyl)silyl]ethynyl]pyridine
  • 5-Fluoro-4-formyl-2-hydroxybenzoic acid
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