에틸2-하이드록시벤조에이트
Ethyl Salicylate
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기본 정보
- CAS
118-61-6- 표준 SMILES
CCOC(=O)c1ccccc1O- InChIKey
GYCKQBWUSACYIF-UHFFFAOYSA-N- 분자식
- C9H10O3
- 평균 분자량
- 166.17 g/mol
- 단동위원소 질량
- 166.06299418
개요
Ethyl salicylate is a hydroxybenzoic acid.
이름 및 식별자
- 우선 이름
- Ethyl Salicylate
- IUPAC
- ethyl 2-hydroxybenzoate
- 현지명
- 에틸2-하이드록시벤조에이트
- 영어명
- ethyl salicylate
- 분자식
- C9H10O3
- 분자량
- 166.17
이름 및 동의어
Ethyl salicylateETHYL 2-HYDROXYBENZOATE118-61-6Sal ethylMesotolSalicylic etherSalotanEthyl o-hydroxybenzoateBenzoic acid, 2-hydroxy-, ethyl esterSalicylic acid, ethyl esterSalicylic ethyl esterSal ether
이름 더 보기
에틸2-하이드록시벤조에이트FEMA 2458Ethyl salicyclatesalethylEthyl Liusalicylicether
Salicyclic acid, ethyl esterFEMA No. 2458DTXSID1021958555U6TZ2MVNSC-8209DTXCID601958RefChem:596399204-265-5
데이터베이스 식별자
- CAS
118-61-6、1321-50-2- PubChem CID
- 8365
- DTXSID
DTXSID1021958- ChEMBL
CHEMBL2251610- ChEBI
CHEBI:88839- UNII
- 555U6TZ2MV
- EC Number
- 204-265-5
- Nikkaji
- J5.527A
물성
구조 계산 물성보충 중
- XLogP
- 3
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 156
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Esters, Other
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Ethyl salicylate) -> IFRA transparency List
LogP
2.95
2.23
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.125-1.131
Flavoring AgentsEU Flavoring substances
Solubility
slightly soluble in water, glycerol; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
233.00 to 235.00 °C. @ 760.00 mm Hg
234 °C
Melting Point1.3 °C
Refractive Index1.518-1.525
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1680 reports by companies from 7 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzoic acid, 2-hydroxy-, ethyl ester
Regulation (EC) No 1831/2003 (amended)
Status: Active Update: 23-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/25212
Ethyl salicylate: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A moderate skin irritant; [RTECS] Causes erythema after topical application as an aerosol; found in blood. [ChemIDplus] Safe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See Methyl salicylate and Phenyl salicylate.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- VO3000000
- 독성
- LD50 orally in Rabbit: 1320 mg/kg LD50 dermal Rabbit > 5000 mg/kg
- HS 번호
- 29182390
- risk_code
- 22-36/38-52/53
- hazard_code
- Xn,Xi
- safety_code
- 26-36
- Hazard Classifications
- Acute Tox. 4 Oral
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
UsesUsed as a fragrance (cosmetics and household products); [Merck Index] Used as a flavoring agent; [FDA] Used to flavor animal feeds; [ExPub: EFSA - FEEDAP]
Household ProductsInformation on 4 consumer products that contain Ethyl Salicylate in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzoic acid, 2-hydroxy-, ethyl ester: ACTIVE
응용 분야
개요Ethyl 2-hydroxdybenzoate is also known as Ethyl salicylate, which a kind of ester formed through the condensation between salicylic acid and ethanol. It can be used as a perfumery, artificial essence flavoring agent and used in cosmetics. It can also be used as analgesics, anti-inflammatory and antipyretic agents.
출처Reported found in raspberry, tomato, currants, rum, whiskey, red wine, plum brandy, Cape gooseberry, Feijoa fruit, papaya and scotch.
일반 설명Ethyl salicylate was hydrolysed to salicylic acid by the use of an extractive electrospray ionisation (EESI) device.
제조 방법
관련 반응
68건
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