Estragole
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
Biological Activity
[Description]:
[Related Catalog]:
[References]
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...
Five hTRPA1 Agonists Found in Indigenous Korean Mint, Agastache rugosa.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...