Estragole

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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

  • 4-Bromoanisole
  • allyl bromide
  • 1-Chloro-4-methoxybenzene
  • Allyltributyltin
  • Allyl acetate
  • 4-Iodoanisole
  • sodium 1,1-dimethyl-1-(2-propen-1-yl)silanolate
  • ALLYL CHLORIDE
  • Allyltrimethylsilane
  • 1-METHOXY-4-TRIFLUOROMETHANESULFONYL-BENZENE

DownStream

  • 4-(4-Methoxyphenyl)butanoic acid
  • p-Anisic acid
  • 4-Methoxyphenylacetic acid
  • 4-n-propylanisole
  • 3-(4-methoxyphenyl)-2-methylpropanal
  • 4-(4-Methoxyphenyl)butanal
  • trans-Anethole
  • (Z)-anethol
  • p-Allylphenol
  • Methyl 4-(4-methoxyphenyl)butanoate

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%

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Related Compounds

  • ps-Estragole
  • estragole oxide
  • 1'-hydroxyestragole
  • estragole 2',3'-dihydrodiol
  • 1'-Hydroxy-estragole-2',3'-oxide