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Substance Name: 1-Methoxy-4-(2-propenyl)benzene
RN: 140-67-0
UNII: 9NIW07V3ET
InChIKey: ZFMSMUAANRJZFM-UHFFFAOYSA-N
Classification Codes
- Mutation Data
- Natural Product
- Skin / Eye Irritant
- Tumor Data
Molecular Formula
- C10-H12-O
Molecular Weight
- 148.204
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 1-Methoxy-4-(2-propenyl)benzene
- Estragole
Synonyms
- 1-Allyl-4-methoxybenzene
- 1-Methoxy-4-(2-propen-1-yl)benzene
- 1-Methoxy-4-(2-propenyl)benzene
- 3-(p-Methoxyphenyl)propene
- 4-06-00-03817 (Beilstein Handbook Reference)
- 4-Allyl-1-methoxybenzene
- 4-Allylanisole
- 4-Allylmethoxybenzene
- 4-Methoxyallylbenzene
- AI3-16052
- Allylphenyl methyl ether, p-
- Anisole, p-allyl-
- Benzene, 1-methoxy-4-(2-propenyl)-
- BRN 1099454
- CCRIS 1317
- Chavicol methyl ether
- Chavicol, O-methyl-
- Chavicyl methyl ether
- EINECS 205-427-8
- EPA Pesticide Chemical Code 062150
- Esdragol
- Esdragole
- Esdragon
- Estragole
- Estragole (natural)
- FEMA No. 2411
- FEMA Number 2411
- HSDB 5412
- Isoanethole
- Methyl chavicol
- NCI-C60946
- NSC 404113
- p-Allylanisole
- p-Allylmethoxybenzene
- p-Methoxyallylbenzene
- Tarragon
- Terragon
- UNII-9NIW07V3ET
Systematic Names
- 4-Allylanisole
- Anisole, p-allyl-
- Benzene, 1-methoxy-4-(2-propen-1-yl)-
- Benzene, 1-methoxy-4-(2-propenyl)-
- Estragole
- p-Allylanisole
Superlist Names
- Anisole, p-allyl-
- Estragole
Registry Numbers
CAS Registry Number
- 140-67-0
FDA UNII
- 9NIW07V3ET
Other Registry Numbers
- 1407-27-8
- 77525-18-9
System Generated Number
- 0000140670
Structure Descriptors
InChI
1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3InChIKey
ZFMSMUAANRJZFM-UHFFFAOYSA-NSmiles
c1(ccc(OC)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 1260mg/kg (1260mg/kg) | BEHAVIORAL: ANTIPSYCHOTIC | Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 246, Pg. 1465, 1958. |
mouse | LD50 | oral | 1250mg/kg (1250mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 14, Pg. 603, 1976. | |
rat | LD50 | intraperitoneal | 1030mg/kg (1030mg/kg) | BEHAVIORAL: ANTIPSYCHOTIC | Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 246, Pg. 1465, 1958. |
rat | LD50 | oral | 1230mg/kg (1230mg/kg) | Food and Cosmetics Toxicology. Vol. 14, Pg. 603, 1976. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Boiling Point | 215.5 | deg C | EXP | |
log P (octanol-water) | 3.470 | (none) | EST | |
Water Solubility | 178 | mg/L | 25 | EXP |
Atmospheric OH Rate Constant | 5.43E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.