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Substance Name: Isomethyleugenol
RN: 93-16-3
UNII: 46RN7Q97DE
InChIKey: NNWHUJCUHAELCL-PLNGDYQASA-N
Classification Codes
- Natural Product
- Skin / Eye Irritant
Molecular Formula
- C11-H14-O2
Molecular Weight
- 178.23
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Results Name
- Isomethyleugenol
Name of Substance
- 1,2-Dimethoxy-4-(1-propenyl)benzene
- Isomethyleugenol
Synonyms
- 1,2-Dimethoxy-4-(1-propen-1-yl)benzene
- 1,2-Dimethoxy-4-(1-propenyl)benzene
- 1,2-Dimethoxy-4-propenylbenzene
- 1,3,4-Isoeugenol methyl ether
- 1-(3,4-Dimethoxyphenyl)-1-propene
- 1-Propene, 1-(3,4-dimethoxyphenyl)-
- 1-Veratryl-1-propene
- 2-06-00-00918 (Beilstein Handbook Reference)
- 3,4-Dimethoxypropenylbenzene (VAN)
- 4-Propenyl veratrole
- 4-Propenyl-1,2-dimethoxybenzene
- 4-Propenylveratrole
- AI3-20967
- Benzene, 1,2-dimethoxy-4-(1-propenyl)-
- Benzene, 1,2-dimethoxy-4-propenyl-
- BRN 0880472
- EINECS 202-224-6
- FEMA No. 2476
- Isoeugenol methyl ether
- Isoeugenyl methyl ether
- Isohomogenol
- Methyl isoeugenol
- Methylisoeugenol
- NSC 46111
- O-Methylisoeugenol
- Propenylguaiacol
- UNII-46RN7Q97DE
Systematic Names
- 4-Prop-1-enylveratrole
- Benzene, 1,2-dimethoxy-4-(1-propen-1-yl)-
- Benzene, 1,2-dimethoxy-4-(1-propenyl)-
- Benzene, 1,2-dimethoxy-4-propenyl-
Superlist Name
- Isoeugenyl methyl ether
Registry Numbers
CAS Registry Number
- 93-16-3
FDA UNII
- 46RN7Q97DE
System Generated Number
- 0000093163
Structure Descriptors
InChI
InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4-InChIKey
NNWHUJCUHAELCL-PLNGDYQASA-NSmiles
COc1ccc(\C=C/C)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 570mg/kg (570mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 199, Pg. 226, 1972. |
mouse | LD50 | intravenous | 181mg/kg (181mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 199, Pg. 226, 1972. |
rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 13, Pg. 865, 1975. | |
rat | LD50 | oral | 2500mg/kg (2500mg/kg) | Food and Cosmetics Toxicology. Vol. 13, Pg. 865, 1975. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 18 | deg C | EXP | |
Boiling Point | 270.5 | deg C | EXP | |
log P (octanol-water) | 2.950 | (none) | EST | |
Atmospheric OH Rate Constant | 7.57E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.