|
|
Substance Name: Eugenol [USP]
RN: 97-53-0
UNII: 3T8H1794QW
InChIKey: RRAFCDWBNXTKKO-UHFFFAOYSA-N
Note
- A cinnamate derivative of the shikimate 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
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
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.