甲基丁香酚

Description

Methyl eugenol is identified by CAS 93-15-2, molecular formula C11H14O2 and molecular weight 178.10 g/mol. UNII 29T9VA6R7M; ChEBI 4918; InChIKey ZYEMGPIYFIJGTP-UHFFFAOYSA-N. Boiling Point: 490.5 °F at 760 mmHg (NTP, 1992); Boiling Point: 254.7 °C; Boiling Point: 249 °C.

Identification

CAS Registry Number	93-15-2
PubChem CID	7127
Molecular formula	C11H14O2
Molecular weight	178.10 g/mol
IUPAC name	1,2-dimethoxy-4-prop-2-enylbenzene
InChIKey	ZYEMGPIYFIJGTP-UHFFFAOYSA-N
UNII (FDA)	29T9VA6R7M
ChEBI ID	CHEBI:4918
JECFA number	1790

Computed Descriptors

Molecular Weight	178.23
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	178.099379685
Monoisotopic Mass	178.099379685
Topological Polar Surface Area	18.5
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Boiling Point	490.5 °F at 760 mmHg (NTP, 1992)
Boiling Point	254.7 °C
Boiling Point	249 °C
Melting Point	25 °F (NTP, 1992)
Melting Point	-4 °C
Flash Point	210 °F (NTP, 1992)
Flash Point	99 °C
Flash Point	99 °C (210 °F) (closed cup)
Solubility	In water, 500 mg/L at 25 °C
Solubility	0.5 mg/mL at 25 °C

Physical description & handling notes

• Methyleugenol is a clear colorless to pale yellow liquid with a spicy earthy odor. Bitter burning taste. (NTP, 1992)
• Liquid
• Colorless to pale yellow liquid; [Merck Index] Slightly herbal odor; [HSDB]
• Colourless to pale yellow liquid; Clove-carnation aroma
• Crystals from hexane
• Colorless to pale yellow liquid

Regulatory Status

Regulatory & Food Contact	FDA Substance added to food: Use unspecified FLAVOURING_AGENT: Flavouring Agent Flavoring Agents EUGENYL METHYL ETHER--NLFG 4-ALLYL VERATROL NO ADI ALLOCATED
GHS notification summary	6.1% (110 / 1814)

GHS Hazard Classification

GHS notification summary	6.1% (110 / 1814)
Reported hazard statements	H302 (93.9%), H317 (70.9%), H341 (91.4%), H351 (93.6%), H320, H336, H350, H373

Documented Uses

• Used as a veterinary anesthetic, insect attractant, and flavoring agent; [HSDB] Used as a fragrance ingredient in perfumes, toiletries, and detergents; [Merck Index]
• Insect attractant; flavoring agent
• Methyleugenol is used as a flavorant in commercial products at concentrations of 5 to 52 ppm. Methyleugenol is used in fragrances at a concentration of 0.002 to 0.3%.
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Cosmetics product ingredient: Methyleugenol (Methyl eugenol)

Synonyms

Methyl eugenol; METHYLEUGENOL; 93-15-2; 4-Allyl-1,2-dimethoxybenzene; Eugenol methyl ether; 4-Allylveratrole; O-Methyleugenol; Eugenyl methyl ether; Veratrole methyl ether; Methyl eugenol ether; 1,2-dimethoxy-4-prop-2-enylbenzene; 1-Allyl-3,4-dimethoxybenzene; 1,2-Dimethoxy-4-(2-propenyl)benzene; Benzene, 1,2-dimethoxy-4-(2-propenyl)-; Methyl eugenyl ether; 3,4-Dimethoxyallylbenzene

Frequently Asked Questions

What are the CAS number and molecular formula of Methyl eugenol?

CAS 93-15-2; molecular formula C11H14O2; molecular weight 178.10 g/mol.

What other names is Methyl eugenol known by?

Methyl eugenol, METHYLEUGENOL, 93-15-2, 4-Allyl-1,2-dimethoxybenzene, Eugenol methyl ether, 4-Allylveratrole.

What is the regulatory status of Methyl eugenol?

Documented regulatory listings: FDA Substance added to food: Use unspecified; FLAVOURING_AGENT: Flavouring Agent; Flavoring Agents.

Is Methyl eugenol classified as hazardous?

6.1% of GHS notifications report no hazard classification (110 of 1814).

What are the key physical properties of Methyl eugenol?

Boiling Point: 490.5 °F at 760 mmHg (NTP, 1992); Boiling Point: 254.7 °C; Boiling Point: 249 °C; Melting Point: 25 °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.