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Substance Name: Isoeugenol
RN: 97-54-1
UNII: 5M0MWY797U
InChIKey: BJIOGJUNALELMI-ONEGZZNKSA-N
Classification Codes
- Mutation Data
- Skin / Eye Irritant
- Tumor Data
Molecular Formula
- C10-H12-O2
Molecular Weight
- 164.2028
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 2-Methoxy-4-(1-propenyl)phenol
- Isoeugenol
- Phenol, 2-methoxy-4-(1-propenyl)-
Synonyms
- 1-(3-Methoxy-4-hydroxyphenyl)-1-propene
- 1-Hydroxy-2-methoxy-4-propen-1-ylbenzene
- 1-Hydroxy-2-methoxy-4-propenylbenzene
- 2-Methoxy-4-(1-propenyl)phenol
- 2-Methoxy-4-propenylphenol
- 3-06-00-04993 (Beilstein Handbook Reference)
- 3-Methoxy-4-hydroxy-1-propen-1-ylbenzene
- 4-Hydroxy-3-methoxy-1-propen-1-ylbenzene
- 4-Hydroxy-3-methoxy-1-propenylbenzene
- 4-Hydroxy-3-methoxypropenylbenzene
- 4-Propenylguaiacol
- AI3-15356
- BRN 1909602
- CCRIS 744
- EINECS 202-590-7
- FEMA No. 2468
- HSDB 8044
- Isoeugenol
- Isoeugenol and isomers
- NCI-C60979
- NSC 6769
- Phenol, 2-methoxy-4-(1-propenyl)-
- Phenol, 2-methoxy-4-propenyl-
- UNII-5M0MWY797U
Systematic Names
- Isoeugenol
- Phenol, 2-methoxy-4-(1-propen-1-yl)-
- Phenol, 2-methoxy-4-(1-propenyl)-
- Phenol, 2-methoxy-4-propenyl-
Superlist Name
- Isoeugenol
Registry Numbers
CAS Registry Number
- 97-54-1
FDA UNII
- 5M0MWY797U
Related Registry Number
- 63661-65-4 (sodium salt)
System Generated Number
- 0000097541
Structure Descriptors
InChI
InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+InChIKey
BJIOGJUNALELMI-ONEGZZNKSA-NSmiles
COc1cc(\C=C\C)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 1410mg/kg (1410mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
| mouse | LD50 | intraperitoneal | 328mg/kg (328mg/kg) | Yakugaku Zasshi. Journal of Pharmacy. Vol. 104, Pg. 793, 1984. | |
| rat | LD50 | oral | 1560mg/kg (1560mg/kg) | BEHAVIORAL: COMA | Toxicology and Applied Pharmacology. Vol. 6, Pg. 378, 1964. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -1.00E+01 | deg C | EXP | |
| Boiling Point | 266 | deg C | EXP | |
| pKa Dissociation Constant | 9.88 | (none) | 25 | EXP |
| log P (octanol-water) | 3.04 | (none) | EXP | |
| Water Solubility | 356 | mg/L | 25 | EST |
| Henry's Law Constant | 2.67E-08 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 8.46E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.