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4180-23-8

4180-23-8 structure
4180-23-8 structure
  • Name: trans-Anethole
  • Chemical Name: trans-Anethole
  • CAS Number: 4180-23-8
  • Molecular Formula: C10H12O
  • Molecular Weight: 148.20
  • Catalog: Chemical reagent Organic reagent Olefins (cyclic and non-cyclic)
  • Create Date: 2018-04-10 08:00:00
  • Modify Date: 2025-08-24 17:03:39
  • Trans-Anethole ((E)-Anethole), a phenylpropene derivative isolated from Pimpinella, shows estrogenic activity at lower concentrations and cytotoxic at higher concentrations in cancer cell lines[1][2]. Trans-Anethole ((E)-Anethole) contributes a large component of the odor and flavor of anise and fennel, anise myrtle, liquorice, camphor, magnolia blossoms, and star anise[3].
Name trans-Anethole
Synonyms 4-Propenylanisole (trans-1-Methoxy-4-(1-propenyl)benzene
trans-isoestragole
trans-p-Propenylanisole
MFCD00009284
4-Propenylanisole
trans-anisol
trans-p-Methoxypropenylbenzene
trans-methylchavicol
Anise camphor
trans-Anethol
Anethole
trans-1-Methoxy-4-(1-propenyl)benzene
anis camphor
(E)-1-Methoxy-4-(prop-1-en-1-yl)benzene
ANETHOLUM
EINECS 224-052-0
Description Trans-Anethole ((E)-Anethole), a phenylpropene derivative isolated from Pimpinella, shows estrogenic activity at lower concentrations and cytotoxic at higher concentrations in cancer cell lines[1][2]. Trans-Anethole ((E)-Anethole) contributes a large component of the odor and flavor of anise and fennel, anise myrtle, liquorice, camphor, magnolia blossoms, and star anise[3].
Related Catalog
References

[1]. Tabanca N, et al. Estrogenic activity of isolated compounds and essential oils of Pimpinella species from Turkey, evaluated using a recombinant yeast screen. Planta Med. 2004 Aug;70(8):728-35.

[2]. Nakagawa Y, et al. Cytotoxic and xenoestrogenic effects via biotransformation of trans-anethole on isolated rat hepatocytes and cultured MCF-7 human breast cancer cells. Biochem Pharmacol. 2003 Jul 1;66(1):63-73.

[3]. Fahlbusch, et al. "Flavors and Fragrances", Ullmann's Encyclopedia of Industrial Chemistry, Weinheim: Wiley-VCH.
Density 0.9875
Boiling Point 234-237ºC
Melting Point 23ºC
Molecular Formula C10H12O
Molecular Weight 148.20
Flash Point 90ºC
Exact Mass 148.08900
PSA 9.23000
LogP 2.72830
Index of Refraction 1.559-1.562
Storage condition 2-8°C
Water Solubility practically insoluble

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BZ9275000
CHEMICAL NAME :
Anisole, p-propenyl-, trans-
CAS REGISTRY NUMBER :
4180-23-8
BEILSTEIN REFERENCE NO. :
0636190
LAST UPDATED :
199701
DATA ITEMS CITED :
16
MOLECULAR FORMULA :
C10-H12-O
MOLECULAR WEIGHT :
148.22
WISWESSER LINE NOTATION :
2U1R DO1 -T

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2090 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 - rat
DOSE/DURATION :
900 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 :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3050 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 :
650 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 :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
2167 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1050 gm/kg/21D-C
TOXIC EFFECTS :
Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.) Biochemical - Metabolism (Intermediary) - other proteins
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
54 gm/kg/90D-C
TOXIC EFFECTS :
Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2100 mg/kg/7D-I
TOXIC EFFECTS :
Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.) Biochemical - Metabolism (Intermediary) - other proteins
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
286 gm/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors Skin and Appendages - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
800 mg/kg
SEX/DURATION :
female 1-10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
TYPE OF TEST :
Morphological transformation

MUTATION DATA

TYPE OF TEST :
Mutation in mammalian somatic cells
TEST SYSTEM :
Rodent - mouse Lymphocyte
DOSE/DURATION :
24 mg/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 326,199,1995 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2789 No. of Facilities: 1062 (estimated) No. of Industries: 27 No. of Occupations: 29 No. of Employees: 35416 (estimated) No. of Female Employees: 9094 (estimated)
Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H317
Precautionary Statements P280
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes Xi:Irritant
Risk Phrases R43
Safety Phrases S36/37
RIDADR 1325.0
WGK Germany 2
RTECS BZ9275000
Hazard Class 4.1
HS Code 29093090
HS Code 29093090
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