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93-16-3

93-16-3 structure
93-16-3 structure
Name isomethyleugenol
Synonyms 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
Description Methyl isoeugenol (MIE) is a natural food flavour that can be isolated from Pimenta pseudocaryophyllus leaf. Methyl isoeugenol shows anxiolytic and antidepressant like effects. Methyl isoeugenol is orally active[1].
Related Catalog
References

[1]. Fajemiroye JO, et al. Anxiolytic and antidepressant like effects of natural food flavour (E)-methyl isoeugenol. Food Funct. 2014 Aug;5(8):1819-28.
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

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)
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
201230-82-2 structure

201230-82-2

93-15-2 structure

93-15-2

~7%

35491-96-4 structure

35491-96-4

50838-61-4 structure

50838-61-4

Detail
Literature: Catalysis Communications, , vol. 11, # 8 p. 778 - 782
201230-82-2 structure

201230-82-2

93-15-2 structure

93-15-2

~%

50838-60-3 structure

50838-60-3

50838-61-4 structure

50838-61-4

Detail
Literature: EP1719752 A1, ; Page/Page column 6-7 ;
97-54-1 structure

97-54-1

74-88-4 structure

74-88-4

~%

93-16-3 structure

93-16-3

Literature: Kuo; Lin Chemical and Pharmaceutical Bulletin, 1993 , vol. 41, # 9 p. 1507 - 1512
97-54-1 structure

97-54-1

77-78-1 structure

77-78-1

~%

93-16-3 structure

93-16-3

Literature: Chem. Zentralbl., , vol. 80, # I p. 924 Gazzetta Chimica Italiana, , vol. 39 I, p. 208 Archiv der Pharmazie (Weinheim, Germany), , vol. 248, p. 143 Chem. Zentralbl., , vol. 80, # I p. 923
10467-10-4 structure

10467-10-4

120-14-9 structure

120-14-9

~%

93-16-3 structure

93-16-3

Literature: Bulletin de la Societe Chimique de France, , vol. <4> 3, p. 316 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 141, p. 597
10548-83-1 structure

10548-83-1

~%

93-16-3 structure

93-16-3

Literature: Bulletin de la Societe Chimique de France, , vol. <4> 3, p. 316 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 141, p. 597
201230-82-2 structure

201230-82-2

93-15-2 structure

93-15-2

~%

50838-61-4 structure

50838-61-4

52417-29-5 structure

52417-29-5

Detail
Literature: Advanced Synthesis and Catalysis, , vol. 347, # 11-13 p. 1488 - 1494
93-15-2 structure

93-15-2

~%

93-16-3 structure

93-16-3

Literature: Chemische Berichte, , vol. 23, p. 862 Chemische Berichte, , vol. 23, p. 1165 Annales de Chimie (Cachan, France), , vol. <7> 15, p. 121
925-90-6 structure

925-90-6

120-14-9 structure

120-14-9

~%

93-16-3 structure

93-16-3

Literature: Bulletin de la Societe Chimique de France, , vol. <4> 3, p. 316 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 141, p. 597
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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