邻氨基苯甲酸2-苯乙酯

Description

Phenylethyl anthranilate is identified by CAS 133-18-6, molecular formula C15H15NO2 and molecular weight 241.11 g/mol. UNII 8HBK71OD81; ChEBI 191913; InChIKey PXWNBAGCFUDYBE-UHFFFAOYSA-N. Melting Point: 42 °C.

Identification

CAS Registry Number	133-18-6
PubChem CID	8615
Molecular formula	C15H15NO2
Molecular weight	241.11 g/mol
IUPAC name	2-phenylethyl 2-aminobenzoate
InChIKey	PXWNBAGCFUDYBE-UHFFFAOYSA-N
UNII (FDA)	8HBK71OD81
ChEBI ID	CHEBI:191913
FEMA number	2859
JECFA number	1543

Computed Descriptors

Molecular Weight	241.28
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	241.110278721
Monoisotopic Mass	241.110278721
Topological Polar Surface Area	52.3
Heavy Atom Count	18
Formal Charge	0

Physical & Chemical Properties

Melting Point	42 °C

Physical description & handling notes

• Phenethyl anthranilate is a colorless solid with an odor of grape and orange. Insoluble in water. (NTP, 1992)
• Solid
• Fused, colourless to pale yellow-amber crystaline mass; Neroli, grape undertone
• Insoluble (<1 mg/ml at 68.0 °F) (NTP, 1992)
• Insoluble in water
• 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 Floral No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	69.8% (90 / 129)

GHS Hazard Classification

GHS notification summary	69.8% (90 / 129)
Reported hazard statements	H315 (30.2%), H319 (30.2%), H335 (30.2%), H400 (30.2%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Benzoic acid, 2-amino-, 2-phenylethyl ester: ACTIVE

Synonyms

PHENETHYL ANTHRANILATE; 2-Phenylethyl 2-aminobenzoate; Phenylethyl anthranilate; Benzylcarbinyl anthranilate; Benzoic acid, 2-amino-, 2-phenylethyl ester; Anthranilic acid, phenethyl ester; 2-Phenylethyl o-aminobenzoate; 2-Phenylethyl-o-aminobenzoate; beta-Phenethyl-o-aminobenzoate; FEMA No. 2859; NSC 66441; CCRIS 4695; DTXSID5025861; EINECS 205-098-0; beta-Phenylethyl anthranilate; UNII-8HBK71OD81

Frequently Asked Questions

What are the CAS number and molecular formula of Phenylethyl anthranilate?

CAS 133-18-6; molecular formula C15H15NO2; molecular weight 241.11 g/mol.

What other names is Phenylethyl anthranilate known by?

PHENETHYL ANTHRANILATE, 2-Phenylethyl 2-aminobenzoate, Phenylethyl anthranilate, Benzylcarbinyl anthranilate, Benzoic acid, 2-amino-, 2-phenylethyl ester, Anthranilic acid, phenethyl ester.

What is the regulatory status of Phenylethyl anthranilate?

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

Is Phenylethyl anthranilate classified as hazardous?

69.8% of GHS notifications report no hazard classification (90 of 129).

What are the key physical properties of Phenylethyl anthranilate?

Melting Point: 42 °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.