CAS 140-67-0|Estragole

Introduction：Basic information about CAS 140-67-0|Estragole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Estragole BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
5. Safety Information
6. Customs
7. Articles34
8. Synonyms

Common Name	Estragole
CAS Number	140-67-0	Molecular Weight	148.202
Density	0.9±0.1 g/cm3	Boiling Point	216.0±0.0 °C at 760 mmHg
Molecular Formula	C₁₀H₁₂O	Melting Point	/
MSDS	ChineseUSA	Flash Point	81.1±0.0 °C
Symbol	GHS07, GHS08	Signal Word	Warning

Names

Name	4-Allylanisole
Synonym	More Synonyms

Estragole BiologicalActivity

Description	Estragole (4-Allylanisole), a relatively nontoxic volatile terpenoid ether, is a major component of the essential oil of many plants. Estragole has potent local anesthetic activity and dose-dependently blocks nerve excitability[1]. Estragole displays anti-toxoplasma activity[2].
Related Catalog	Signaling Pathways >>Others >>OthersResearch Areas >>Neurological Disease
References	[1]. Leal-Cardoso JH, et al. Effects of estragole on the compound action potential of the rat sciatic nerve. Braz J Med Biol Res. 2004 Aug;37(8):1193-8. [2]. Oliveira CB, et al. Anti-Toxoplasma Activity of Estragole and Thymol in Murine Models of Congenital and Noncongenital Toxoplasmosis. J Parasitol. 2016 Jun;102(3):369-76.

Description

Estragole (4-Allylanisole), a relatively nontoxic volatile terpenoid ether, is a major component of the essential oil of many plants. Estragole has potent local anesthetic activity and dose-dependently blocks nerve excitability[1]. Estragole displays anti-toxoplasma activity[2].

Related Catalog

Signaling Pathways >>Others >>OthersResearch Areas >>Neurological Disease

References

[1]. Leal-Cardoso JH, et al. Effects of estragole on the compound action potential of the rat sciatic nerve. Braz J Med Biol Res. 2004 Aug;37(8):1193-8.

[2]. Oliveira CB, et al. Anti-Toxoplasma Activity of Estragole and Thymol in Murine Models of Congenital and Noncongenital Toxoplasmosis. J Parasitol. 2016 Jun;102(3):369-76.

Chemical & Physical Properties

Density	0.9±0.1 g/cm3
Boiling Point	216.0±0.0 °C at 760 mmHg
Molecular Formula	C₁₀H₁₂O
Molecular Weight	148.202
Flash Point	81.1±0.0 °C
Exact Mass	148.088821
PSA	9.23000
LogP	3.15
Vapour Pressure	0.2±0.4 mmHg at 25°C
Index of Refraction	1.505
InChIKey	ZFMSMUAANRJZFM-UHFFFAOYSA-N
SMILES	C=CCc1ccc(OC)cc1
Stability	Stable. Flammable. Incompatible with strong oxidizing agents.

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: BZ8225000

CHEMICAL NAME :: Anisole, p-allyl-

CAS REGISTRY NUMBER :: 140-67-0

BEILSTEIN REFERENCE NO. :: 1099454

LAST UPDATED :: 199701

DATA ITEMS CITED :: 17

MOLECULAR FORMULA :: C10-H12-O

MOLECULAR WEIGHT :: 148.22

WISWESSER LINE NOTATION :: 1U2R DO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1230 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 :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1030 mg/kg

TOXIC EFFECTS :: Behavioral - antipsychotic

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1250 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - coma

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1260 mg/kg

TOXIC EFFECTS :: Behavioral - antipsychotic

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >5 gm/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 :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 97 gm/kg/1Y-C

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Liver - tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 111 mg/kg

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 140 mg/kg/22D-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Liver - tumors

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 195 gm/kg/1Y-C

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Liver - tumors Liver - angiosarcoma

TYPE OF TEST :: Unscheduled DNA synthesis

MUTATION DATA

TEST SYSTEM :: Rodent - mouse

DOSE/DURATION :: 80 mg/kg

REFERENCE :: CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 5,1613,1984 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5058 No. of Facilities: 668 (estimated) No. of Industries: 2 No. of Occupations: 6 No. of Employees: 9128 (estimated) No. of Female Employees: 6777 (estimated)

Safety Information

Symbol	GHS07, GHS08
Signal Word	Warning
Hazard Statements	H302-H317-H341-H351
Precautionary Statements	P280
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xn:Harmful;
Risk Phrases	R22
Safety Phrases	S26-S36/37
RIDADR	NA 1993 / PGIII
WGK Germany	3
RTECS	BZ8225000
HS Code	2909309090

Customs

HS Code	2909309090
Summary	2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Articles34

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PLoS ONE 10 , e0127060, (2015)

Transient receptor potential ankyrin1 (TRPA1) and transient receptor potential vanilloid 1 (TRPV1) are members of the TRP superfamily of structurally related, nonselective cation channels and mediator...

Design and synthesis of 4-methoxyphenylacetic acid esters as 15-lipoxygenase inhibitors and SAR comparative studies of them.

Bioorg. Med. Chem. 17 , 2327-35, (2009)

A group of 4-methoxyphenylacetic acid esters were designed, synthesized and evaluated as potential inhibitors of soybean 15-lipoxygenase (SLO) on the basis of eugenol and esteragol structures. Compoun...

Synonyms

4-allyl-1-methoxybenzene

Anisole, p-allyl-

p-Allyl-Anisole

Tarragon

4-allyl

Estragol

1-Methoxy-4-(2-propen-1-yl)benzene

Estragole

4-Methoxyallylbenzene

Chavicol methyl ether,Estragole

4-MeOC6H4CH2-CH=CH2

Esdragon

methyl chavicol

p-methoxyallylbenzene

Benzene, 1-methoxy-4-(2-propen-1-yl)-

4-Allylmethoxybenzene

para-allylanisole

Terragon

FEMA 2411

Esdragol

4-Allylphenyl methyl ether

EINECS 205-427-8

Chavicol methyl ether

Chavicol, O-methyl-

1-Allyl-4-methoxybenzene

1-Methoxy-4-(2-propenyl)benzene

1U2R DO1

4-Allylanisole

Esdragole

MFCD00008653

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