기본 정보
- 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 물성
- 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
Physical Description
Clear colorless to very light yellow liquid with a pleasant odor like wintergreen; [Merck Index] Colorless liquid; [Alfa Aesar MSDS]
Liquid
colourless to pale yellow liquid with a spicy, anisic, wintergreen-like odour
물리화학적 성질
- 녹는점
- 1 °C · 1 °C (lit.)
- 끓는 점
- 234 °C · 234 °C (lit.)
- 밀도
- 1.131 g/mL · 1.131 g/mL at 25 °C (lit.)
- 증기압
- 0.05 mm · 0.05 mm Hg ( 25 °C)
- 굴절률
- 20 · n20/D 1.522(lit.)
- FEMA
- 2458 · 2458 | ETHYL SALICYLATE
- 인화점
- 225 °F · 225 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 0.25 g/L · 0.25g/L
- 산도 계수 (pKa)
- 9.93 · 9.93±0.10(Predicted)
- 물리적 상태
- 액체
- 색상
- 무색~담황색 투명
- 냄새
- 100 %에서 · 100.00%에서. 달콤한 윈터그린 민트 꽃매콤한 발삼
- 냄새 유형
- 민트 맛
- 생물학적 소스
- synthetic
- 폭발한계
- 1.1 % · 1.1%(V)
- 수용성
- 약간 용해됨
- Merck
- 14 · 14,3850
- JECFA Number
- 900 · 900
- BRN
- 907659 · 907659
- Dielectric constant
- 8.6 · 8.6(21℃)
- 주요 응용
- 향료 및 향
- 화장품 원료 기능
- 향수
- InChI
- 1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3
- InChIKey
- GYCKQBWUSACYIF-UHFFFAOYSA-N
- SMILES
- CCOC(=O)c1ccccc1O
- LogP
- 3.07 at · 3.07 at 21.9℃
- NIST
- 2 · Benzoic acid, 2-hydroxy-, ethyl ester(118-61-6)
- EPA
- Ethyl salicylate (118-61-6)
안전 및 규제
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
- 스토리지 클래스
- 10 - Combustible liquids
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
생산 방법Ethyl salicylate is found naturally in currants and strawberries . It is manufactured commercially by the esterification of salicylic acid with ethyl alcohol.
Ethyl 2-hydroxybenzoate is prepared by esterification of salicylic acid with ethyl alcohol and concentrated H2SO4 at 100°C in the presence of aluminum sulfate; by heating to the boil an alkaline solution of salicylic acid and ethyl p-toluenesulfonate.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北京绿百草科技发展有限公司010-61136123 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
天津万象恒远科技有限公司15722085254 · [email protected]
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
青岛保税区鲁联国际贸易有限公司0532-83893697 18561902820 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
成都润泽本土化工有限公司13096311329 028-88469284 616445927 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
桦特昇生物科技（武汉）有限公司027-59207879 1972026995 18140587686 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
韶关新润合生物科技有限公司19022763608 19022763608 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
上海思言生物科技有限公司021-50908862，442785678，326799392 18721037013 · [email protected]
上海西陇生化科技有限公司021-52907766-8042
관련 반응
68건
연결된 노트
불러오는 중…