p-아미노안식향산에틸에스테르

벤조카인 · p-아미노안식향산에틸에스테르 · 에틸파바 · ETHYL 4-AMINOBENZOATE · Benzocaine base · ethyl aminobenzoate · ETHYL P-AMINOBENZOATE · 4-AMINOBENZOIC ACID ETHYL ESTER

https://huagongshe.com/ko/chemical/2337

식별자 및 물리적 특성

CAS No.	94-09-7
분자식	C9H11NO2
평균 분자량	165.19 g/mol
단동위원소 질량	165.07897859 g/mol
SMILES	CCOC(=O)c1ccc(N)cc1
InChIKey	BLFLLBZGZJTVJG-UHFFFAOYSA-N
PubChem CID	2337
ChEMBL	CHEMBL278172
ChEBI	CHEBI:116735
EC No.	202-303-5
DTXSID	DTXSID8021804
현지명	p-아미노안식향산에틸에스테르

화학 및 물리적 성질

XLogP	1.9
극성 표면적	52.3
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	3
무거운 원자 수	12
형식 전하	0
복잡도	151
물질 분류	Other Uses -> Pharmaceuticals
의약품	PharmaceuticalsPharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties	15N nuclear magnetic resonance spectrum
농약	Biocide
LogP(분배 계수)	log Kow = 1.861.87
Color/Form	Rhombohedra from etherNeedles from water
용해도	One gram dissolves in about 5 ml alcohol, 2 ml chloroform, in about 4 ml ether, and in 30 to 50 ml of expressed almond oil or olive oil. Also sol in dil acids.Soluble in acidIn water, 1,310 mg/L at 25 °C>24.8 [ug/mL] (The mean of the results at pH 7.4)알코올: 5ml에 용해성 1g
Human Drugs	Breast FeedingLactationAnesthetics, LocalPharmaceuticals
Animal Drugs	Pharmaceuticals -> UK Veterinary Medicines Directorate List
끓는 점	310 °C172 °C (12.7517 mmHg)
녹는점	92 °C88-90 °C
증기압	2.6X10-4 mm Hg at 25 °C /Estimated/
밀도	1.17
굴절률	1.5600 (estimate)
인화점	172°C/13mm
저장 조건	2-8°C
물리적 상태	결정성 분말
pKa(산도 계수)	2.5(at 25℃)
색상	하얀색
냄새	냄새 없는
용해도	에탄올, 클로로포름, 에틸 에테르 및 묽은 산에 용해됩니다. 물에 거의 녹지 않음
Merck	14,1086
BRN	638434
헨리 상수	6.2×102 mol/(m3Pa) at 25℃, HSDB (2015)
안정성	안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
화장품 원료 기능	자외선 흡수제구강 관리
InChI	1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
InChIKey	BLFLLBZGZJTVJG-UHFFFAOYSA-N
SMILES	CCOC(=O)c1ccc(N)cc1
LogP(분배 계수)	1.860
NIST	Benzoic acid, 4-amino-, ethyl ester(94-09-7)
EPA	Benzocaine (94-09-7)

화학적 성질

Benzocaine is a white odourless needle-like crystal, slightly soluble in water and easily soluble in organic solvents. For example: ethanol, chloroform, ether, soluble in almond oil, olive oil.

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 11.1% (39 of 351) of reports.DangerH317 (77.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]P260, P261, P264, P270, P272, P273, P280, P302+P352, P308+P316, P321, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 351 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H402: Harmful to aquatic life [Hazardous to the aquatic environment, acute hazard]
규제 정보	Benzoic acid, 4-amino-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 4-amino-, ethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 31-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19637Benzocaine: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	IMAP assessments - Benzoic acid, 4-amino-, ethyl ester: Environment tier I assessment
유해성 요약	Procaine allergy used to be a common skin sensitizer for dentists. There exists cross-reactivity between procaine, benzocaine, and tetracaine but not with lidocaine and other amide-type local anesthetics currently used. [Kanerva, p. 434]
FDA 요건	Anorectal drug products for over-the-counter human use. Local anesthetic active ingredients. The active ingredient of the product consists of any of the following when used in the concentration or within the concentration range established for each ingredient. Benzocaine 5 to 20 percent is included on this list.External analgesic drug products for over-the-counter human use. Analgesic, anesthetic, and antipruritic active ingredients. The active ingredient of the product consists of any of the following within the specified concentration established for each ingredient: Male genital desensitizers: benzocaine, 3 to 7.5 percent in a water-soluble base.
Hazard Classes and Categories	Skin Sens. 1 (77.8%)Skin sensitization - Category 1Hazardous to the aquatic environment (Acute) - Category 3

용도

개요

Benzocaine (ethyl p-aminobenzoate) is used topically by itself or in combination with menthol or phenol in nonprescription dosage forms such as gels, creams, ointments, lotions, aerosols, and lozenges to relieve pain or irritation caused by such conditions as sunburn, insect bites, toothache, teething, cold sores or canker sores in or around the mouth, and fever blisters. Benzocaine is a lipophilic local anesthetic agent with a short duration of action. Like most amino ester-type local anesthetics, it is easily hydrolyzed by plasma cholinesterase. Because of its low pKa, however, it is un-ionized under most physiological conditions and, therefore, can only bind to the lipid side of the local anesthetic receptor. It also can easily cross membranes into systemic circulation to cause systemic toxicities. Furthermore, being a PABA derivative, it has similar allergenic properties to procaine and is contraindicated with sulfonamide antibacterial agents.

용도

Benzocaine is used as an anesthetic (Local and topical) that in products such as burn and sunburn remedies, hemorrhoidal creams, suppositories, creams for treatment of poison ivy, oral and gingival products, sore-throat sprays/lozenges, astringents, appetite suppressants, callus and wart remedies, athlete's-foot remedies, toothache- and denture-irritation products.

일반 설명

Benzocaine is a unique local anesthetic because it does notcontain a tertiary amine. The pKa of the aromatic amine is 3.5ensuring that benzocaine is uncharged at physiological pH.Because it is uncharged, it is not water soluble but is ideal fortopical applications. The onset of action is within 30 secondsand the duration of drug action is 10 to 15 minutes.