2-(4-메틸페닐)프로판산

2-(4-Tolyl)propanoic acid

HCID 150866CAS 938-94-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1ccc(C(C)C(=O)O)cc1
InChIKey
KDYOFXPLHVSIHS-UHFFFAOYSA-N
분자식
C10H12O2
평균 분자량
164.2 g/mol
단동위원소 질량
164.08372962

이름 및 식별자

우선 이름
2-(4-Tolyl)propanoic acid
IUPAC
2-(4-methylphenyl)propanoic acid
현지명
2-(4-메틸페닐)프로판산
영어명
2-(4-Methylphenyl)propanoic acid
분자식
C10H12O2
분자량
164.2

이름 및 동의어

938-94-32-(p-Tolyl)propanoic acid2-(4-methylphenyl)propionic acid2-(4-Tolyl)propanoic acidalpha,4-Dimethylbenzeneacetic acid1635C8OCXWBenzeneacetic acid, alpha,4-dimethyl-RefChem:844992-(4-Methylphenyl)propanoic acid2-(P-TOLYL)PROPIONIC ACIDIbuprofen EP Impurity Dp-Methylhydratropic Acid
이름 더 보기
2-(4-메틸페닐)프로판산2-p-Tolylpropanoic acidIbuprofen-32-(4-MethyL5932B+5242:5246IBUPROFEN IMP D2-(4-Methylphenyl)prIBUPROFEN IMPURITY D
MFCD01111378CHEMBL1902752-(4'-Methylphenyl)propionic acidPropanoic acid, 2-(4-methylphenyl)(2RS)-2-(4-Methylphenyl)propanoic Acid(+/-)-2-(P-METHYLPHENYL)PROPIONIC ACID2-(p-Methylphenyl)propionic Acid2-p-Tolylpropionic Acid

데이터베이스 식별자

CAS
938-94-3
PubChem CID
150866
DTXSID
DTXSID50917912
ChEMBL
CHEMBL190275
UNII
1635C8OCXW
EC Number
627-324-0
Nikkaji
J546.092A

물성

구조 계산 물성

XLogP
2.3
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
12

실험 및 물리화학적 성질

Kovats Retention Index1386；1386

물리화학적 성질

녹는점
37 · 37-42 °C(lit.)
끓는 점
231.67 °C · 231.67°C (rough estimate)
밀도
1.0041 · 1.0041 (rough estimate)
굴절률
1.518 · 1.518-1.52
인화점
230 °F · >230 °F
저장 조건
Sealed in dry,Room Temperature

화학적 성질

clear yellow liquid after melting

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)；Eye Irrit. 2A (97.6%)；STOT SE 3 (95.2%)

안전 데이터

wgk
3
HS 번호
29163990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3

화학 및 산업

응용 분야 · 2건

용도2-(p-Tolyl)propionic acid is an impurity of Ibuprofen (I140000). Ibuprofen impurity D.

일반 설명α,4-Dimethylphenylacetic acid is also referred to as 2-(4-methylphenyl)propanoic acid. It is an alkaline decomposition product of azalomycin-B, a macrolide antibiotic produced by Streptomyces hygroscopicus var. azalomyceticus. The reaction of pinonic acid with bromine in water affords 2-(4-methylphenyl)propanoic acid.

상·하류 제품 정보

공급사50 곳

天津始加生物医药科技有限公司15022261580 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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