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Substance Name: Eugenol [USP]
RN: 97-53-0
UNII: 3T8H1794QW
InChIKey: RRAFCDWBNXTKKO-UHFFFAOYSA-N
Note
- A cinnamate derivative of the shikamate pathway found in CLOVE OIL and other PLANTS.
Molecular Formula
- C10-H12-O2
Molecular Weight
- 164.2028
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
Classification Codes
- Agricultural Chemical
- Analgesic (Dental)
- Anti-Infective Agents
- Insect Attractant, Repellent and Chemosterilant
- Mutation Data
- Skin / Eye Irritant
- Solvents
- Tumor Data
Superlist Classification Code
- Overall Carcinogenic Evaluation: Group 3
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Other Resources (Internet Locators)
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Names and Synonyms
Name of Substance
- 2-Methoxy-4-(2-propenyl)phenol
- Allylguaiacol
- Eugenol
- Eugenol [USP]
- Phenol, 2-methoxy-4-(2-propenyl)-
MeSH Heading
- Eugenol
Synonyms
- 1,3,4-Eugenol
- 1-Hydroxy-2-methoxy-4-allylbenzene
- 1-Hydroxy-2-methoxy-4-prop-2-enylbenzene
- 1-Hydroxy-2-methoxy-4-propenylbenzene
- 2-Methoxy-1-hydroxy-4-allylbenzene
- 2-Methoxy-4-(2-propen-1-yl)phenol
- 2-Methoxy-4-allylphenol
- 2-Methoxy-4-prop-2-enylphenol
- 2-Metoksy-4-allilofenol
- 2-Metoksy-4-allilofenol [Polish]
- 4-06-00-06337 (Beilstein Handbook Reference)
- 4-Allyl-1-hydroxy-2-methoxybenzene
- 4-Allyl-2-methoxyphenol
- 4-Allylcatechol 2-methyl ether
- 4-Allylcatechol-2-methyl ether
- 4-Allylguaiacol
- 4-Hydroxy-3-methoxy-1-allylbenzene
- 4-Hydroxy-3-methoxyallylbenzene
- 5-Allylguaiacol
- AI3-00086
- Allylguaiacol
- BRN 1366759
- Caryophyllic acid
- Caswell No. 456BC
- CCRIS 306
- EC 202-589-1
- EINECS 202-589-1
- Engenol
- EPA Pesticide Chemical Code 102701
- Eugenic acid
- Eugenol
- Eugenol (natural)
- FA 100
- FEMA No. 2467
- FEMA Number 2467
- HSDB 210
- NCI-C50453
- NSC 209525
- p-Allylguaiacol
- p-Eugenol
- Phenol, 2-methoxy-4-(2-propenyl)-
- Phenol, 4-allyl-2-methoxy-
- Synthetic eugenol
- UNII-3T8H1794QW
Systematic Names
- Eugenol
- Phenol, 2-methoxy-4-(2-propen-1-yl)-
- Phenol, 2-methoxy-4-(2-propenyl)-
- Phenol, 4-allyl-2-methoxy-
Superlist Names
- 2-Methoxy-4-(2-propenyl)phenol
- Eugenol
Registry Numbers
CAS Registry Number
- 97-53-0
FDA UNII
- 3T8H1794QW
System Generated Number
- 0000097530
Structure Descriptors
InChI
InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3InChIKey
RRAFCDWBNXTKKO-UHFFFAOYSA-NSmiles
COc1cc(CC=C)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LDLo | oral | 500mg/kg (500mg/kg) | BEHAVIORAL: ATAXIA GASTROINTESTINAL: NAUSEA OR VOMITING | Gastroenterology. Vol. 15, Pg. 481, 1950. |
| guinea pig | LD50 | oral | 2130mg/kg (2130mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
| hamster | LD50 | intratracheal | 17mg/kg (17mg/kg) | LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Archives of Toxicology. Vol. 59, Pg. 78, 1986. |
| mouse | LD50 | intraperitoneal | 500mg/kg (500mg/kg) | Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 250, Pg. 1148, 1960. | |
| mouse | LD50 | intravenous | 72mg/kg (72mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 164, Pg. 30, 1966. |
| mouse | LD50 | oral | 3gm/kg (3000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
| rat | LC | inhalation | > 2580mg/m3/4H (2580mg/m3) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Archives of Toxicology. Vol. 62, Pg. 381, 1988. |
| rat | LD50 | intratracheal | 11mg/kg (11mg/kg) | LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Archives of Toxicology. Vol. 59, Pg. 78, 1986. |
| rat | LD50 | oral | 1930mg/kg (1930mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: COMA BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | Proceedings of the Society for Experimental Biology and Medicine. Vol. 73, Pg. 148, 1950. |
| rat | LDLo | intraperitoneal | 800mg/kg (800mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS KIDNEY, URETER, AND BLADDER: OTHER CHANGES BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Revue Medicale de la Suisse Romande. Vol. 16, Pg. 449, 1896. |
| rat | LDLo | subcutaneous | 5gm/kg (5000mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE WEAKNESS KIDNEY, URETER, AND BLADDER: OTHER CHANGES | Revue Medicale de la Suisse Romande. Vol. 16, Pg. 449, 1896. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -7.50E+00 | deg C | EXP | |
| Boiling Point | 253.2 | deg C | EXP | |
| pKa Dissociation Constant | 10.19 | (none) | 25 | EXP |
| log P (octanol-water) | 2.27 | (none) | EXP | |
| Water Solubility | 2460 | mg/L | 25 | EXP |
| Henry's Law Constant | 4.81E-08 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 6.50E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.