기본 정보
- 표준 SMILES
CCOC(=O)Cc1ccc(O)cc1- InChIKey
HYUPPKVFCGIMDB-UHFFFAOYSA-N- 분자식
- C10H12O3
- 평균 분자량
- 180.2 g/mol
- 단동위원소 질량
- 180.07864424
이름 및 식별자
- 우선 이름
- Ethyl 4-hydroxyphenylacetate
- IUPAC
- ethyl 2-(4-hydroxyphenyl)acetate
- 영어명
- Ethyl 4-hydroxyphenylacetate
- 분자식
- C10H12O3
- 분자량
- 180.2
이름 및 동의어
Ethyl 4-hydroxyphenylacetateethyl 2-(4-hydroxyphenyl)acetateBenzeneacetic acid, 4-hydroxy-, ethyl ester4-Hydroxyphenylacetic acid ethyl esterethyl (4-hydroxyphenyl)acetateEthyl (p-hydroxyphenyl)acetate94NWB742CWEINECS 241-197-5DTXSID0066165Acetic acid, (p-hydroxyphenyl)-, ethyl ester(4-Hydroxy-phenyl)-acetic acid ethylesterRefChem:138772
이름 더 보기
EPAN-003AKOS 909252-(4-hydroxyphenyl)butanoateEthyl4-Hydroxyphenylacetate>ETHYL-4-HYDROXYPHENYLACETIC ACIDEthyl 2-(p-Hydroxyphenyl)acetate4-hydroxy-benzeneaceticaciethylester
DTXCID2035487Ethyl 2-(4-hydroxyphenyl)acetic acid241-197-5Ethyl 4-hydroxyphenylacetic acidHYUPPKVFCGIMDB-UHFFFAOYSA-NInChI=1/C10H12O3/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H17138-28-2MFCD00016491
데이터베이스 식별자
- CAS
17138-28-2- PubChem CID
- 28310
- DTXSID
DTXSID0066165- UNII
- 94NWB742CW
- EC Number
- 241-197-5
- Nikkaji
- J101.861B
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 160
물리화학적 성질
- 녹는점
- 36 · 36-38°C
- 끓는 점
- 187 · 187-189°C 20mm
- 밀도
- 1.146 · 1.146±0.06 g/cm3(Predicted)
- 굴절률
- 1.52 · 1.52
- 인화점
- 187 · 187-189°C/20mm
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름에 용해됨
- 물리적 상태
- 갈색 반고체
- 산도 계수 (pKa)
- 9.84 · 9.84±0.15(Predicted)
- 색상
- White or Colorless to Light yellow
- LogP
- 1.76 · 1.760 (est)
- NIST
- 4 · Benzeneacetic acid, 4-hydroxy-, ethyl ester(17138-28-2)
- EPA
- 4 · Benzeneacetic acid, 4-hydroxy-, ethyl ester (17138-28-2)
화학적 성질
Brown Semi-Solid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.
Warning
H315 (75%): 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (75%)
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 2916340000
- safety_code
- 22-24/25
- 위험 등급
- IRRITANT
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzeneacetic acid, 4-hydroxy-, ethyl ester: INACTIVE
응용 분야
용도Ethyl 4-hydroxyphenylacetate is a useful synthetic intermediate for the preparation of novel antiinflammatory agents.
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