Estragole
Suppliers
Names
[ CAS No. ]:
140-67-0
        
[ Name ]:
 Estragole
        
[Synonym ]:
                
                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
                
                
                
                
    
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
            
[ Stability ]:
Stable. Flammable. Incompatible with strong oxidizing agents.
            
MSDS
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
            
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%
            
Articles
Food Chem. Toxicol. 74 , 28-34, (2014)
The alkenylbenzene methyleugenol occurs naturally in a variety of spices and herbs, including basil, and their essential oils. At high dose levels methyleugenol induces hepatocarcinogenicity in rodent...
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...
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...