Benzyl anthranilate

HCID 522771

Notes Reactions

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Basic information

CAS: 82185-41-9
Standard SMILES: Nc1ccccc1C(=O)OCc1ccccc1
InChIKey: ZHZPDMZPDWXVMJ-UHFFFAOYSA-N
Molecular formula: C14H13NO2
Average molar mass: 227.26 g/mol
Monoisotopic mass: 227.09462866

Names & identifiers

Preferred name: Benzyl anthranilate
IUPAC: benzyl 2-aminobenzoate
English name: Benzyl anthranilate
Molecular formula: C14H13NO2
Molecular weight: 227.26

Names & synonyms

Benzyl anthranilateBenzoic acid, 2-amino-, phenylmethyl esterEINECS 279-911-2DTXSID10231606RefChem:118855DTXCID00154097279-911-2ZHZPDMZPDWXVMJ-UHFFFAOYSA-NBenzyl 2-aminobenzoate82185-41-9MFCD000606052-Aminobenzoic acid benzyl ester

Show more names

B860277 Benzyl Anthranilate,≥97%2-amino-benzoicaciphenylmethylester2-aminobenzoic acid (phenylmethyl) esterBenzyl anthranilate, Phenylmethyl 2-aminobenzoate

Benzyl 2-aminobenzoate #phenylmethyl 2-aminobenzoateanthranilic acid benzyl esterOprea1_030897SCHEMBL445585SCHEMBL6985262SCHEMBL29394630SBB017812

Database identifiers

CAS: 82185-41-9
PubChem CID: 522771
DTXSID: DTXSID10231606
EC Number: 279-911-2
Nikkaji: J284.152E

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 249

Physicochemical properties

Melting point: 76 °C · 76 °C
Boiling point: 206 °C/7mmHg · 206°C/7mmHg(lit.)
solubility: soluble in Methanol
form: powder to crystal
color: White to Light yellow to Light orange
Odor: 100 % · at 100.00 %. floral grapefruit lily
Odor Type: citrus
λmax: 334 nm · 334nm(MeOH)(lit.)
LogP: 3.865 · 3.865 (est)
CAS DataBase Reference: 82185 · 82185-41-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xi
HS Code: 2921.42 · 2921.42.9000
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Benzoic acid, 2-amino-, phenylmethyl ester

Benzoic acid, 2-amino-, phenylmethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzoic acid, 2-amino-, phenylmethyl ester: Human health tier I assessment

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2921.42.9000
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313