CAS 89-83-8|Thymol

Introduction:Basic information about CAS 89-83-8|Thymol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameThymol
CAS Number89-83-8Molecular Weight150.218
Density1.0±0.1 g/cm3Boiling Point233.0±0.0 °C at 760 mmHg
Molecular FormulaC10H14OMelting Point48-51 °C(lit.)
MSDSChineseUSAFlash Point102.2±0.0 °C
Symbol
GHS05, GHS07, GHS09
Signal WordDanger

Names

Namethymol
SynonymMore Synonyms

Thymol BiologicalActivity

DescriptionThymol is the main monoterpene phenol occurring in essential oils isolated from plants belonging to the Lamiaceae family, and other plants such as those belonging to the Verbenaceae, Scrophulariaceae, Ranunculaceae and Apiaceae families. Thymol has antioxidant, anti-inflammatory, antibacterial and antifungal effects[1].
Related CatalogResearch Areas >>InfectionSignaling Pathways >>Others >>Others
References

[1]. Marchese A, et al. Antibacterial and antifungal activities of thymol: A brief review of the literature. Food Chem. 2016 Nov 1;210:402-14.

Chemical & Physical Properties

Density1.0±0.1 g/cm3
Boiling Point233.0±0.0 °C at 760 mmHg
Melting Point48-51 °C(lit.)
Molecular FormulaC10H14O
Molecular Weight150.218
Flash Point102.2±0.0 °C
Exact Mass150.104462
PSA20.23000
LogP3.28
Vapour Pressure0.0±0.4 mmHg at 25°C
Index of Refraction1.523
InChIKeyMGSRCZKZVOBKFT-UHFFFAOYSA-N
SMILESCc1ccc(C(C)C)c(O)c1
Storage conditionStore at RT.
StabilityStable. Incompatible with strong oxidizing agents, organic materials, strong bases.
Water Solubility0.1 g/100 mL (20 ºC)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XP2275000
CHEMICAL NAME :
Thymol
CAS REGISTRY NUMBER :
89-83-8
LAST UPDATED :
199710
DATA ITEMS CITED :
26
MOLECULAR FORMULA :
C10-H14-O
MOLECULAR WEIGHT :
150.24
WISWESSER LINE NOTATION :
QR C1 FY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
980 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia Behavioral - coma
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
640 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Lungs, Thorax, or Respiration - respiratory stimulation
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
110 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
243 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Skin and Appendages - hair
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Behavioral - sleep
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - dyspnea
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
60 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
880 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - coma Gastrointestinal - gastritis
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
20 mg/kg
SEX/DURATION :
female 4 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Embryo
DOSE/DURATION :
300 ug/L
REFERENCE :
SHIGAZ Shigaku. Ondotology. (Nippon Shika Daigaku Shigakkai, 1-9-20 Fujimi, Chiyodaku, Tokyo 102, Japan) V.38- 1949- Volume(issue)/page/year: 74,1365,1987 *** REVIEWS *** TOXICOLOGY REVIEW JRPMAP Journal of Reproductive Medicine. (2 Jacklynn Ct., St. Louis, MO 63132) V.3- 1969- Volume(issue)/page/year: 12,27,1974 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 73040 No. of Facilities: 617 (estimated) No. of Industries: 9 No. of Occupations: 15 No. of Employees: 13138 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 73040 No. of Facilities: 1050 (estimated) No. of Industries: 16 No. of Occupations: 23 No. of Employees: 21355 (estimated) No. of Female Employees: 14083 (estimated)

Safety Information

Symbol
GHS05, GHS07, GHS09
Signal WordDanger
Hazard StatementsH302-H314-H411
Precautionary StatementsP273-P280-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338-P391
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard CodesC:Corrosive
Risk PhrasesR22;R34;R51/53
Safety PhrasesS26-S28-S36/37/39-S45-S61-S28A
RIDADRUN 3261 8/PG 3
WGK Germany2
RTECSXP2275000
Packaging GroupIII
Hazard Class8
HS Code29071900

Customs

HS Code2907199090
Summary2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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Synonyms

6-Isopropyl-3-methylphenol
6-Isopropyl-m-cresol
3-methyl-6-isopropyl-phenol
5-methyl-2-(propan-2-yl)phenol
MFCD00005869
Thyme camphor
Phenol, 5-methyl-2-(1-methylethyl)-
2-isopropyl-5-methylphenol
5-methyl-2-(1-methylethyl)phenol
1-methyl-4-isopropyl-3-hydroxybenzene
Isopropyl cresol
3-p-Cymenol
EINECS 201-944-8
5-methyl-2-propan-2-ylphenol
THYMOL
2-Isopropyl-5-methyl-phenol
Thymic acid
5-Methyl-2-isopropylphenol
1-hydroxy-2-isopropyl-5-methylbenzene
CAS 197359-74-3|3-(Tert-butyl)-5-methyl-6-phenylbenzofuran
CAS 77656-37-2|2,3-Dihydroxypropyl 2-propylpentanoate
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