2-페닐리소부티릭 산

2-Phenylisobutyric acid

HCID 13222CAS 826-55-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C(=O)O)c1ccccc1
InChIKey: YYEROYLAYAVZNW-UHFFFAOYSA-N
분자식: C10H12O2
평균 분자량: 164.2 g/mol
단동위원소 질량: 164.08372962

이름 및 식별자

우선 이름: 2-Phenylisobutyric acid
IUPAC: 2-methyl-2-phenylpropanoic acid
현지명: 2-페닐리소부티릭 산
영어명: 2-Phenylisobutyric acid
분자식: C10H12O2
분자량: 164.2

이름 및 동의어

2-methyl-2-phenylpropanoic acid2-Phenylisobutyric acidalpha,alpha-DIMETHYLPHENYLACETIC ACIDDR8HUH2GYKUNII-DR8HUH2GYKbenzeneacetic acid, alpha,alpha-dimethyl-Hydratropic acid, .alpha.-methyl-2-phenyl-2-methylpropionic acidEINECS 212-556-3alpha,alpha-dimethylbenzeneacetic acidNSC-28952NSC-29095

이름 더 보기

2-페닐리소부티릭산2-메틸-2-페닐프로피온산2-METHYL-2-PHENYLPROPIONIC ACIDTH 4161NSC 29095α, α-diMethyl acidRARECHEM AL BO 1659Phenylisobutyric Aci2- phenylisobutyrate2-Phenylisobutyrsure

.alpha.,.alpha.-Dimethylphenylacetic acid2,2-DIMETHYL-2-PHENYLACETIC ACID.alpha.,.alpha.-Dimethylbenzeneacetic acidYYEROYLAYAVZNW-UHFFFAOYSA-Benzeneacetic acid, .alpha.,.alpha.-dimethyl-DTXSID90231907EC 212-556-3NSC 28952

데이터베이스 식별자

CAS: 826-55-1
PubChem CID: 13222
DTXSID: DTXSID90231907
UNII: DR8HUH2GYK
EC Number: 212-556-3
Nikkaji: J195.083E

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 167

물리화학적 성질

녹는점: 80 · 80-82°C
끓는 점: 146.5 °C · 146.5°C
밀도: 1.089 · 1.089±0.06 g/cm3(Predicted)
인화점: 146.5 °C · 146.5°C
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 4.39 · 4.39±0.10(Predicted)
물리적 상태: 수정 같은
색상: 하얀색
수용성: 물에 불용성.
InChI: InChI=1S/C10H12O2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12)
InChIKey: YYEROYLAYAVZNW-UHFFFAOYSA-N
SMILES: C1(=CC=CC=C1)C(C)(C)C(=O)O
LogP: 2.3 at · 2.3 at 20℃

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 5.3% (1 of 19) of reports.

Warning

H315 (94.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 19 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 02-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6777

Hazard Classes and CategoriesSkin Irrit. 2 (94.7%)

안전 데이터

wgk: WGK 1
HS 번호: 2916399090
risk_code: 36/37/38-36/38
hazard_code: Xi
safety_code: 26-36/37/39
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Methyl-2-phenylpropionic acid is used in the synthesis of Fexofenadine hydrochloride

상·하류 제품 정보

상류 원료

알파-메틸히드라트로파미드 Benzene, (1-bromo-1-methylethyl)-alpha,alpha-Dimethylbenzyl phenyl sulfide 리튬티오페녹사이드 2-메틸-2-페닐프로판니트릴 메틸2,2-디메틸페닐아세테이트 α,α-디메틸-에틸 에스테르 벤젠아세트산 에틸 페닐아세트산 알파-메틸 스타이렌

공급사50 곳

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]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

연결된 노트

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