茴香脑

Description

Anethole · CAS 104-46-1 · C10H12O. UNII Q3JEK5DO4K. Boiling Point: 454.1 °F at 760 mmHg (NTP, 1992); Boiling Point: 234 °C; Boiling Point: 234-239.5 °C.

Identification

CAS Registry Number	104-46-1
PubChem CID	637563
Molecular formula	C10H12O
IUPAC name	1-methoxy-4-[(E)-prop-1-enyl]benzene
UNII (FDA)	Q3JEK5DO4K
FEMA number	2086
JECFA number	217

Computed Descriptors

Molecular Weight	148.20
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	148.088815002
Monoisotopic Mass	148.088815002
Topological Polar Surface Area	9.2
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Boiling Point	454.1 °F at 760 mmHg (NTP, 1992)
Boiling Point	234 °C
Boiling Point	234-239.5 °C
Melting Point	70.4 °F (NTP, 1992)
Melting Point	21.3 °C
Flash Point	195 °F (NTP, 1992)
Flash Point	90.1 °C
Density	0.9878 @ 20 °C/4 °C
Density	0.983-0.988
Vapor Pressure	0.05 [mmHg]

Physical description & handling notes

• Anethole appears as white crystals or a liquid. Odor of anise oil and a sweet taste. (NTP, 1992)
• Liquid
• Liquid; CBI
• White solid with an odor of anise; Affected by light; [Hawley] Colorless liquid with a sweet odor of aniseed; [Merck Index] Colorless crystalline solid or liquid; mp = 20-23 deg C; [MSDSonline]
• Colourless to faintly yellow liquid with an aniseed-like odour
• White crystals

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Anise TRANS-ANETHOLE
GHS notification summary	2.9% (55 / 1880)

GHS Hazard Classification

GHS notification summary	2.9% (55 / 1880)
Reported hazard statements	H317 (95.3%), H412 (36.4%)

Documented Uses

• Chief constituent of anise, star anise, and fennel oils; Used as a flavoring agent (foods, beverages, and drugs) and fragrance (soaps and dentifrices); [Merck Index] Used to make anisaldehyde, as a sensitizer in bleaching colors in photography, an embedding material in microscopy, and an insect attractant; [HSDB]
• Photographic Processing [Category: Other]
• MFR ANISALDEHYDE; IN PERFUMERY, SOAP & DENTIFRICES; SENSITIZER IN BLEACHING COLORS IN COLOR PHOTOGRAPHY; AS EMBEDDING MATERIAL IN MICROSCOPY; PHARMACEUTIC AID (FLAVOR); VET: HAS BEEN USED AS A CARMINATIVE & AS A FLAVORING AGENT
• For more Uses (Complete) data for ANETHOLE (6 total), please visit the HSDB record page.
• Use (kg; approx.) in Germany (2009): >25
• Consumption (g per capita; approx.) in Germany (2009): 0.000305

Synonyms

ANETHOLE; 104-46-1; Anise camphor; Monasirup; Anethol; 4-Propenylanisole; Anisole, p-propenyl-; trans-p-Propenylanisole; p-Anethole; 1-Methoxy-4-(1-propenyl)benzene; Aniskampfer; trans-1-p-Anisylpropene; Anethole, trans; 1-methoxy-4-[(E)-prop-1-enyl]benzene; p-1-Propenylanisole; 1-Methoxy-4-propenylbenzene

Frequently Asked Questions

What are the CAS number and molecular formula of Anethole?

CAS 104-46-1; molecular formula C10H12O; molecular weight — g/mol.

What other names is Anethole known by?

ANETHOLE, 104-46-1, Anise camphor, Monasirup, Anethol, 4-Propenylanisole.

What is the regulatory status of Anethole?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Anethole classified as hazardous?

2.9% of GHS notifications report no hazard classification (55 of 1880).

What are the key physical properties of Anethole?

Boiling Point: 454.1 °F at 760 mmHg (NTP, 1992); Boiling Point: 234 °C; Boiling Point: 234-239.5 °C; Melting Point: 70.4 °F (NTP, 1992).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.