CAS 499-75-2|5-Isopropyl-2-methylphenol

Introduction:Basic information about CAS 499-75-2|5-Isopropyl-2-methylphenol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name5-Isopropyl-2-methylphenol
CAS Number499-75-2Molecular Weight150.218
Density1.0±0.1 g/cm3Boiling Point237.2±9.0 °C at 760 mmHg
Molecular FormulaC10H14OMelting Point3-4 °C(lit.)
MSDSChineseUSAFlash Point106.7±0.0 °C
Symbol
GHS05, GHS07
Signal WordDanger

Names

Namecarvacrol
SynonymMore Synonyms

5-Isopropyl-2-methylphenol BiologicalActivity

DescriptionCarvacrol is a monoterpenoid phenol isolated from Lamiaceae family plants, with antioxidant, anti-inflammatory and anticancer properties. Carvacrol causes cell cycle arrest in G0/G1, downregulates Notch-1, and Jagged-1, and induces apoptosis[1].
Related CatalogSignaling Pathways >>Apoptosis >>ApoptosisResearch Areas >>CancerSignaling Pathways >>Stem Cell/Wnt >>NotchResearch Areas >>Inflammation/Immunology
References

[1]. Khan F, et al. Carvacrol Induced Program Cell Death and Cell Cycle Arrest in Androgen-Independent Human Prostate Cancer Cells via Inhibition of Notch Signaling. Anticancer Agents Med Chem. 2019 Jul 31.

Chemical & Physical Properties

Density1.0±0.1 g/cm3
Boiling Point237.2±9.0 °C at 760 mmHg
Melting Point3-4 °C(lit.)
Molecular FormulaC10H14O
Molecular Weight150.218
Flash Point106.7±0.0 °C
Exact Mass150.104462
PSA20.23000
LogP3.28
Vapour Pressure0.0±0.5 mmHg at 25°C
Index of Refraction1.523
InChIKeyRECUKUPTGUEGMW-UHFFFAOYSA-N
SMILESCc1ccc(C(C)C)cc1O
StabilityStable. Combustible. Incompatible with strong bases, strong oxidizing agents.
Water SolubilityInsoluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
FI1225000
CHEMICAL NAME :
Carvacrol
CAS REGISTRY NUMBER :
499-75-2
BEILSTEIN REFERENCE NO. :
1860514
LAST UPDATED :
199701
DATA ITEMS CITED :
13
MOLECULAR FORMULA :
C10-H14-O
MOLECULAR WEIGHT :
150.24
WISWESSER LINE NOTATION :
QR B1 EY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,743,1979 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
810 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
73300 ug/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia
REFERENCE :
QJDRAZ Quarterly Journal of Crude Drug Research. (Lisse, Netherlands) V.1-19, 1961-81. For publisher information, see IJCREE. Volume(issue)/page/year: 19,1,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
680 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
SIZSAR Sapporo Igaku Zasshi. Sapporo Medical Journal. (Sapporo Igaku Daigaku, Nishi-17-chome, Minami-1-jo, Chuo-ku, Sapporo 060, Japan) V.3- 1952- Volume(issue)/page/year: 3,73,1952
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
80 mg/kg
TOXIC EFFECTS :
Behavioral - sleep
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 23,1350,1980
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
310 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 3,109,1948
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HBTXAC "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59 Volume(issue)/page/year: 5,46,1959
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 161,196,1931
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2700 mg/kg
TOXIC EFFECTS :
Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 38,366,1949
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HBTXAC "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59 Volume(issue)/page/year: 5,46,1959
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
75 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HBTXAC "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59 Volume(issue)/page/year: 5,46,1959 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5071 No. of Facilities: 1235 (estimated) No. of Industries: 6 No. of Occupations: 8 No. of Employees: 7449 (estimated) No. of Female Employees: 979 (estimated)

Safety Information

Symbol
GHS05, GHS07
Signal WordDanger
Hazard StatementsH302-H314
Precautionary StatementsP280-P305 + P351 + P338-P310
Personal Protective EquipmentFaceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard CodesC:Corrosive
Risk PhrasesR22;R34
Safety PhrasesS26-S36/37/39-S45
RIDADRUN 3265 8/PG 3
WGK Germany3
RTECSFI1225000
Packaging GroupIII
Hazard Class8
HS Code2907199090

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%

Articles53

More Articles
Evidence for the involvement of descending pain-inhibitory mechanisms in the attenuation of cancer pain by carvacrol aided through a docking study.

Life Sci. 116(1) , 8-15, (2014)

The present study evaluated the carvacrol (CARV) effect on hyperalgesia and nociception induced by sarcoma 180 (S180) in mice.Carvacrol treatment (12.5-50mg/kgs.c.) once daily for 15days was started 2...

Comparison of biological processes induced in HepG2 cells by tert-butyl hydroperoxide (t-BHP) and hydroperoxide (H2O2): The influence of carvacrol.

Mutat. Res. 757(1) , 15-22, (2013)

This paper presents comparisons of biological impacts of the oxidants H2O2 and t-BHP on human liver cells, and shows modulation of these effects by the phenolic compound carvacrol. To understand bette...

Activity of essential oil of Lippia triplinervis Gardner (Verbenaceae) on Rhipicephalus microplus (Acari: Ixodidae).

Parasitol. Res. 112(2) , 863-9, (2013)

The objective of this work was to characterize and investigate the acaricidal activity of the essential oil of the aerial parts of Lippia triplinervis at different concentrations on unengorged larvae ...

Synonyms

5-Isopropyl-o-cresol
5-Isopropyl-2-Methylphenol
2-methyl-5-(1-methylethyl)phenol
EINECS 207-889-6
MFCD00002236
2-methyl-5-propan-2-ylphenol
CAS 937634-90-7|2-Methyl-5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.1]heptane
CAS 101257-47-0|3-Acetamido-5-methylthiophene-2-carboxylic acid
Recommended......
TOP