5-Isopropyl-2-methylphenol

Modify Date: 2026-06-30 18:36:34

5-Isopropyl-2-methylphenol Structure
5-Isopropyl-2-methylphenol structure
 Common Name 5-Isopropyl-2-methylphenol
CAS Number 499-75-2 Molecular Weight 150.218
Density 1.0±0.1 g/cm3 Boiling Point 237.2±9.0 °C at 760 mmHg
Molecular Formula C10H14O Melting Point 3-4 °C(lit.)
MSDS Chinese USA Flash Point 106.7±0.0 °C
Symbol GHS05 GHS07
GHS05, GHS07		 Signal Word Danger

 Use of 5-Isopropyl-2-methylphenol


Carvacrol 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].

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name carvacrol
Synonym More Synonyms

 5-Isopropyl-2-methylphenol Biological Activity

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description Carvacrol 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 Catalog
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

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.0±0.1 g/cm3
Boiling Point 237.2±9.0 °C at 760 mmHg
Melting Point 3-4 °C(lit.)
Molecular Formula C10H14O
Molecular Weight 150.218
Flash Point 106.7±0.0 °C
Exact Mass 150.104462
PSA 20.23000
LogP 3.28
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.523
InChIKey RECUKUPTGUEGMW-UHFFFAOYSA-N
SMILES Cc1ccc(C(C)C)cc1O
Stability Stable. Combustible. Incompatible with strong bases, strong oxidizing agents.
Water Solubility Insoluble

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

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

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS05 GHS07
GHS05, GHS07
Signal Word Danger
Hazard Statements H302-H314
Precautionary Statements P280-P305 + P351 + P338-P310
Personal Protective Equipment Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes C:Corrosive
Risk Phrases R22;R34
Safety Phrases S26-S36/37/39-S45
RIDADR UN 3265 8/PG 3
WGK Germany 3
RTECS FI1225000
Packaging Group III
Hazard Class 8
HS Code 2907199090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2907199090
Summary 2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

 Articles53

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

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 ...

 5-Isopropyl-2-methylphenolBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Acute toxicity measured as median lethal dose in mice; Range is 80-100
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL726045
Name: Effect on action potential in Wistar rat DRG neuron assessed as amplitude reduction a...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2213217
Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
Name: Induction of Wistar rat sciatice nerve fiber excitability assessed as increase in chr...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2213214
Name: Reduction in amplitude of compound action potential in bullfrog sciatic nerve at 0.5 ...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2213215
Name: Lipophilicity, logP of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL3047338
Name: Repellent activity against Tribolium castaneum (red flour beetle) assessed as inducti...
Source: ChEMBL
Target: Tribolium castaneum
External Id: CHEMBL3047339
Name: Repellent activity against Tribolium castaneum (red flour beetle) assessed as inducti...
Source: ChEMBL
Target: Tribolium castaneum
External Id: CHEMBL3047340
Name: Effect on action potential in Wistar rat DRG neuron assessed as resting potential at ...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2213682
Name: Effect on action potential in Wistar rat DRG neuron assessed as input resistance at 0...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2213683
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

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

 5-Isopropyl-2-methylphenol | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What English synonyms does carvacrol have?
A: English synonyms of carvacrol: 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.
Q: What is the LogP of carvacrol?
A: LogP of carvacrol is 3.28.
Q: What is the SMILES notation of carvacrol?
A: SMILES notation of carvacrol is Cc1ccc(C(C)C)cc1O.
Q: What are the upstream materials of carvacrol?
A: Related upstream materials(CAS) of carvacrol: 99-49-0;6380-28-5;6485-40-1;100-47-0;2244-16-8;107-14-2;67-56-1;76-22-2;75-05-8;78-82-0.
Q: What is the molecular formula of carvacrol?
A: Molecular formula of carvacrol is C10H14O.
Q: How is the water solubility of carvacrol?
A: Water solubility of carvacrol: Insoluble.
Q: What are the downstream products of carvacrol?
A: Related downstream products(CAS) of carvacrol: 576-55-6;490-91-5;78617-27-3;2217-60-9;4389-53-1;19728-20-2;20154-41-0;636-94-2;98-82-8;55479-94-2.
Q: What is the InChIKey of carvacrol?
A: InChIKey of carvacrol is RECUKUPTGUEGMW-UHFFFAOYSA-N.
Q: What is the safety information for carvacrol?
A: Safety information for carvacrol: S26-S36/37/39-S45.
Q: What is the molecular weight of carvacrol?
A: Molecular weight of carvacrol is 150.218.

 5-Isopropyl-2-methylphenolfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
naturewill
Henan Tianfu Chemical Co., Ltd.
Zhongshan Xingrui Chemical Co. , Ltd.
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