(E)-methyl isoeugenol

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Names

[ CAS No. ]:
93-16-3

[ Name ]:
(E)-methyl isoeugenol

[Synonym ]:
4-Propenylveratrole
1,3,4-Isoeugenol methyl ether
trans-Methylisoeugenol
isomethyleugenol
4-trans-Propenylveratrole
benzene, 1,2-dimethoxy-4-(1-propen-1-yl)-
1,2-Dimethoxy-4-((E)-propenyl)-benzene
1-Propene, 1-(3,4-dimethoxyphenyl)-
Isoeugenyl methyl ether
trans-Methyl isoeugenol
1,2-dimethoxy-4-[(1E)-prop-1-en-1-yl]benzene
1,2-Dimethoxy-4-[(1E)-1-propen-1-yl]benzene
1-(3, 4-Dimethoxyphenyl)-1-propene
1,2-dimethoxy-4-prop-1-en-1-ylbenzene
Methylisoeugenol
MFCD00009282
EINECS 202-224-6
Benzene, 1,2-dimethoxy-4-[(1E)-1-propen-1-yl]-
trans-isomethyleugenol
Methyl isoeugenol
Isoeugenol methyl ether
trans-4-Propenylveratrole
1,2-Dimethoxy-4-propenylbenzene
Benzene, 1,2-dimethoxy-4-propenyl-, (E)-
1,2-Dimethoxy-4-(prop-1-en-1-yl)benzene

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
271.1±20.0 °C at 760 mmHg

[ Melting Point ]:
98-100 °C(lit.)

[ Molecular Formula ]:
C11H14O2

[ Molecular Weight ]:
178.23

[ Flash Point ]:
104.5±21.3 °C

[ Exact Mass ]:
178.099380

[ PSA ]:
18.46000

[ LogP ]:
3.05

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.534

[ Storage condition ]:
2~8°C

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CZ7000000
CHEMICAL NAME :
Benzene, 1,2-dimethoxy-4-propenyl-
CAS REGISTRY NUMBER :
93-16-3
BEILSTEIN REFERENCE NO. :
0880472
LAST UPDATED :
199712
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C11-H14-O2
MOLECULAR WEIGHT :
178.25
WISWESSER LINE NOTATION :
2U1R CO1 DO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,865,1975 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,865,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
570 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 199,226,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
181 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 199,226,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
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 :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,865,1975 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8400 mg/kg/28D-C
TOXIC EFFECTS :
Liver - changes in liver weight Kidney, Ureter, Bladder - other changes in urine composition Blood - changes in leukocyte (WBC) count
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 30,475,1992 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83230 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 207 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83230 No. of Facilities: 1391 (estimated) No. of Industries: 2 No. of Occupations: 8 No. of Employees: 15097 (estimated) No. of Female Employees: 10177 (estimated)

Safety Information

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
R36/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
CZ7000000

[ HS Code ]:
2909309090

Synthetic Route

Precursor & DownStream

Precursor

  • carbon monoxide
  • Methyleugenol
  • Isoeugenol,mixture of cis and trans
  • methyl iodide
  • Dimethyl sulfate
  • ethylmagnesium iodide
  • veratraldehyde
  • 1-(3',4'-Dimethoxyphenyl)-1-propanol
  • ETHYLMAGNESIUM BROMIDE

DownStream

  • 2,3,6,7-Tetramethoxy-9,10-anthraquinone
  • veratraldehyde
  • Veratric acid
  • UNII:N6222F124L
  • 1-(3,4-dimethoxy-phenyl)-2-hydroxy-propan-1-one
  • Diisohomoeugenol
  • 3,4-Dimethoxyphenylacetone
  • 2-(3,4-dimethoxyphenyl)-2-oxoacetic acid
  • 1,2-DIMETHOXY-4-N-PROPYLBENZENE

Customs

[ HS Code ]: 2909309090

[ Summary ]:
2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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  • (E)-methyl 4-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)vinyl)benzoate
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