ChemicalBook > CAS DataBase List > Estragole

Estragole

Product Name
Estragole
CAS No.
140-67-0
Chemical Name
Estragole
Synonyms
ESTRAGOLE;METHYL CHAVICOL;1-Allyl-4-methoxybenzene;Terragon;Estragol;P-ALLYLANISOLE;1-METHOXY-4-(2-PROPEN-1-YL)BENZENE;Esdragol;Tarragon;Esdragole
CBNumber
CB8429687
Molecular Formula
C10H12O
Formula Weight
148.2
MOL File
140-67-0.mol
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Estragole Property

Melting point:
25°C
Boiling point:
215-216 °C (lit.)
Density 
0.965 g/mL at 25 °C (lit.)
vapor pressure 
82-101hPa at 20-37.8℃
FEMA 
2411 | ESTRAGOLE
refractive index 
n20/D 1.521(lit.)
Flash point:
178 °F
storage temp. 
Sealed in dry,2-8°C
solubility 
0.178g/l
form 
Liquid
color 
Clear colorless
Specific Gravity
0.965
Odor
at 10.00 % in propylene glycol. sweet sassafrass anise spice green herbal fennel
Odor Type
anisic
Water Solubility 
177.8mg/L(25 ºC)
Merck 
14,3705
JECFA Number
1789
BRN 
1099454
Stability:
Stable. Flammable. Incompatible with strong oxidizing agents.
LogP
3.4 at 25-35℃ and pH7
CAS DataBase Reference
140-67-0(CAS DataBase Reference)
NIST Chemistry Reference
Benzene, 1-methoxy-4-(2-propenyl)-(140-67-0)
EPA Substance Registry System
Estragole (140-67-0)
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Safety

Hazard Codes 
Xn
Risk Statements 
22-38-43-68-40
Safety Statements 
26-36/37
RIDADR 
NA 1993 / PGIII
WGK Germany 
3
RTECS 
BZ8225000
TSCA 
Yes
HS Code 
29093090
Hazardous Substances Data
140-67-0(Hazardous Substances Data)
Toxicity
LD50 in rats, mice (mg/kg): 1820, 1250 orally (Jenner)
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H317May cause an allergic skin reaction

H319Causes serious eye irritation

H341Suspected of causing genetic defects

H351Suspected of causing cancer

H411Toxic to aquatic life with long lasting effects

Precautionary statements

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P308+P313IF exposed or concerned: Get medical advice/attention.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
W241105
Product name
4-Allylanisole
Purity
≥98%, FCC
Packaging
1kg
Price
$118
Updated
2024/03/01
Sigma-Aldrich
Product number
W241105
Product name
4-Allylanisole
Purity
≥98%, FCC
Packaging
5kg
Price
$720
Updated
2024/03/01
Sigma-Aldrich
Product number
PHL82205
Product name
Estragole
Purity
phyproof? Reference Substance
Packaging
100MG
Price
$250
Updated
2023/06/20
Sigma-Aldrich
Product number
05818
Product name
4-Allylanisole
Purity
analytical standard
Packaging
1ml
Price
$37.4
Updated
2022/05/15
TCI Chemical
Product number
A0702
Product name
4-Allylanisole
Purity
>98.0%(GC)
Packaging
10g
Price
$24
Updated
2024/03/01
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Estragole Chemical Properties,Usage,Production

Chemical Properties

colourless liquid with an aniseed smell

Chemical Properties

Basil oil, methyl chavicol (estragole)-type (Réunion type, exotic type) is obtained by steam distillation of the flowering tops or whole plants of Ocimum basilicum L. (Lamiaceae), which was formerly grown in Réunion and Madagascar. Today, the oil is produced in India and Vietnam on relatively large scale (～100 and 30 t/yr, respectively) and also in Egypt, but in small quantities. It is a light yellow liquid with a fresh, green, spicy odor characteristic of methyl chavicol (estragole).
d2020 0.948–0.970; n20D 1.5100–1.5200; α20D ?1°to +2°; solubility: 1 vol in ≤7 vol 80% ethanol; content by GC: methyl chavicol 75–87%; linalool 0.5–3%(data for the classical “exotic” type; Indian types may contain up to ～20% linalool).

Chemical Properties

Estragole has an odor reminiscent of anise with a corresponding sweet taste (differing from anethole)

Chemical Properties

Herbaceous plant native to eastern and central Europe; it prefers shady growing sites. It grows 30 to 80 cm (12 to 31 in.) tall, with roots clustered in bundles, a branched stalk, alternate leaves and yellow flowers. Leaves are fragrant and anise-flavored. The plant flowers from July to August. The parts used are the flowering tops and leaves. Tarragon has a sweet, spicy odor and a sweet, anisic, fresh, green flavor reminiscent of basil and anise. This herb is commonly used to flavor vinegar and to season meats, soups, vegetable and fish dishes.

Occurrence

Reported found in anise oil.

Uses

insect atttractant, skin irritant, carcinogen

Uses

4-Allylanisole has been used as a reference standard for the analysis of 4-allylanisole in essential oils by high performance liquid chromatography (HPLC) equipped with fluorometric detector and in emissions from live vegetation by solid-phase microextraction (SPME) combined with proton transfer reaction mass spectrometry (PTR-MS). It may be used as a reference standard for the determination of 4-allylanisole in food products by simultaneous distillation-extraction (SDE) followed by analyses using capillary gas chromatography (GC)-flame ionization detector (FID) and GC-MS.

Uses

In perfumes and as flavor in foods and liqueurs.

Definition

ChEBI: Estragole is an olefinic compound.

Preparation

Obtained by fractional distillation of the oil of turpentine or by treating a solution of the same oil in ether with an aqueous solution of mercuric acetate and subsequently heating the aqueous phase with zinc and sodium hydroxide; forms allyl bromide and magnesium p-methoxy phenate in ether.

Composition

The herb is reported to contain polyacetylenic compounds (capillene; phenyl-1,3-pentadiyne; acetylenic alcohol and its glucoside; capillone and dehydrofalcarinone); coumarinic and isocoumarinic derivatives (artemidinol, artemidiol, scopoletine, herciarine); alcohols (9-hydroxygeraniol; 4-methoxybenzyl alcohol); aldehyde (CoE, 2000).

Taste threshold values

Taste characteristics at 10 ppm: sweet, licorice, phenolic, weedy, spice, celery-like

Synthesis Reference(s)

The Journal of Organic Chemistry, 61, p. 1748, 1996 DOI: 10.1021/jo9518314
Synthesis, p. 701, 1983

General Description

Colorless liquid with odor of anise. Insoluble in water. Isolated from rind of persea gratissima grath. and from oil of estragon. Found in oils of Russian anise, basil, fennel turpentine, tarragon oil, anise bark oil.

Air & Water Reactions

Forms azeotropic mixtures with water. . Insoluble in water.

Reactivity Profile

4-Allylanisole may react vigorously with strong oxidizing agents. Can react exothermically with reducing agents (such as alkali metals and hydrides) to release gaseous hydrogen. May react exothermically with both acids and bases.

Health Hazard

ACUTE/CHRONIC HAZARDS: 4-Allylanisole is an irritant.

Fire Hazard

4-Allylanisole is combustible.

Safety Profile

Moderate acute toxicity by many routes. A skin irritant. Questionable carcinogen with experimental carcinogenic and neoplastigenic data. Mutation data reported. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALLYL COMPOUNDS. A spice used in foods, liqueurs, and perfumes.

Estragole Preparation Products And Raw materials

Raw materials

Turpentine oil Allyl bromide Tarragon Oil

Preparation Products

cis-Anethol
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View Lastest Price from Estragole manufacturers

Hebei Zhuanglai Chemical Trading Co Ltd
Product
Estragole 140-67-0
Price
US $45.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20 tons
Release date
2024-12-10
Hebei Weibang Biotechnology Co., Ltd
Product
4-Allylanisole 140-67-0
Price
US $10.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10 mt
Release date
2024-11-27
Hebei Fengjia New Material Co., Ltd
Product
4-Allylanisole 140-67-0
Price
US $1.20/kg
Min. Order
1kg
Purity
0.99
Supply Ability
100000
Release date
2024-08-22

140-67-0, EstragoleRelated Search:

Methyl eugenol Allyl chloride Benzene Allyl bromide Allyl glycidyl ether Sodium allylsulfonate Diallylamine LUTEONE 4'-METHOXYCHALCONE 2',4-DIHYDROXY-4',6'-DIMETHOXYCHALCONE Genistin Colchicine EUPATORIN-5-METHYL ETHER Safrole AFLATOXIN G1 3,7,3',4'-TETRAMETHYLGOSSYPETIN Hesperidin methylchalcone Diosmin

  • Anisole, p-allyl-
  • Chavicol, methyl-
  • Chavicol, O-methyl-
  • Chavicyl methyl ether
  • Esdragol
  • Esdragole
  • Esdragon
  • Estragol
  • Estragol (Methylchavicol)
  • Ether, p-allylphenyl methyl
  • femanumber2411
  • Isoanethole
  • NCI-C60946
  • o-methyl-chavico
  • p-allyl-anisol
  • p-Allylmethoxybenzene
  • p-Allylphenyl methyl ether
  • p-Methoxyallylbenzene
  • Tarragon
  • Terragon
  • METHYL CHAVICOL
  • FEMA 2411
  • ESTRAGOLE
  • CHAVICOL METHYL ETHER
  • 1-METHOXY-4-(2-PROPEN-1-YL)BENZENE
  • 1-METHOXY-4-(2-PROPENYL)BENZENE
  • 4-ALLYLANISOLE
  • 4-ALLYL-1-METHOXYBENZENE
  • 4-METHOXYALLYLBENZENE
  • 3-(4-METHOXYPHENYL)-1-PROPENE
  • P-ALLYLANISOLE
  • 1-Allyl-4-methoxybenzene
  • 1-allyl-4-methoxy-benzene
  • 1-methoxy-4-(2-propenyl)-benzen
  • 3-(p-Methoxyphenyl)propene
  • 4-allyl
  • 4-Allylanisol
  • 4-Allylmethoxybenzene
  • Artemisia brain
  • Natural 4-Allylanisole
  • 4-AL
  • ESTRAGOLE (METHYL CHAVICOL)
  • METHYL CHAVICOL (ESTRAGOLE)
  • 4-ALLYLANISOLE 98+% FCC
  • 4-ALLYLANISOLE, TERPENE STANDARD FOR GC
  • estragole,(1-methoxy)-4-(2-propenyl)benzene,4-allylanisole
  • Benzene, 1-methoxy-4-(2-propenyl)-
  • PARA-ALLYLANISOLE
  • ALLYLANISOLE
  • Estragole 4-Methoxyallylbenzene
  • O-Methyl-chavicol
  • p-Allylpheny methyl ether
  • ESTRAGOLE WITH GC
  • 4-ALLYLANISOLE, 98% (SEE 2686)
  • ESTRAGOLE (SEE 1704)
  • METHYL CHAVICOL, NATURAL
  • METHYL CHAVICOL, SYNTHETIC
  • Chavicol methyl ether, Estragole