4-烯丙基-2-甲氧基苯基苯甲酸酯

Description

4-allyl-2-methoxyphenyl benzoate · CAS 531-26-0 · C17H16O3. UNII YRO21E9Z35. Boiling Point: 360.00 °C. @ 760.00 mm Hg; Melting Point: 69 - 70 °C.

Identification

CAS Registry Number	531-26-0
PubChem CID	62362
Molecular formula	C17H16O3
IUPAC name	(2-methoxy-4-prop-2-enylphenyl) benzoate
UNII (FDA)	YRO21E9Z35
FEMA number	2471
JECFA number	1533

Computed Descriptors

Molecular Weight	268.31
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	268.109944368
Monoisotopic Mass	268.109944368
Topological Polar Surface Area	35.5
Heavy Atom Count	20
Formal Charge	0

Physical & Chemical Properties

Boiling Point	360.00 °C. @ 760.00 mm Hg
Melting Point	69 - 70 °C

Physical description & handling notes

• Solid
• Colourless crystalline solid; Balsamic aroma with and undertone reminiscent of clove
• Insoluble in water; Soluble in oils
• Soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 934-JECFA 65/49

GHS Hazard Classification

Reported hazard statements	H317 (100%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Phenol, 2-methoxy-4-(2-propen-1-yl)-, 1-benzoate: INACTIVE

Synonyms

Eugenyl benzoate; Eugenol benzoate; 4-Allyl-2-methoxyphenyl benzoate; 531-26-0; Benzoyl eugenol; p-Eugenol, benzoate; FEMA No. 2471; PHENOL, 2-METHOXY-4-(2-PROPENYL)-, BENZOATE; Phenol, 4-allyl-2-methoxy-, benzoate; Phenol, 2-methoxy-4-(2-propen-1-yl)-, 1-benzoate; YRO21E9Z35; 2-Methoxy-4-(2-propenyl)phenyl benzoate; EINECS 208-504-4; NSC 408913; NSC-408913; AI3-23236

Frequently Asked Questions

What are the CAS number and molecular formula of 4-allyl-2-methoxyphenyl benzoate?

CAS 531-26-0; molecular formula C17H16O3; molecular weight — g/mol.

What other names is 4-allyl-2-methoxyphenyl benzoate known by?

Eugenyl benzoate, Eugenol benzoate, 4-Allyl-2-methoxyphenyl benzoate, 531-26-0, Benzoyl eugenol, p-Eugenol, benzoate.

What is the regulatory status of 4-allyl-2-methoxyphenyl benzoate?

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

Is 4-allyl-2-methoxyphenyl benzoate classified as hazardous?

Hazard statements reported: H317.

What are the key physical properties of 4-allyl-2-methoxyphenyl benzoate?

Boiling Point: 360.00 °C. @ 760.00 mm Hg; Melting Point: 69 - 70 °C.

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.