4-(4-Methylphenyl)-4-oxobutanoic acid

HCID 244162CAS 4619-20-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1ccc(C(=O)CCC(=O)O)cc1
InChIKey
OEEUWZITKKSXAZ-UHFFFAOYSA-N
분자식
C11H12O3
평균 분자량
192.21 g/mol
단동위원소 질량
192.07864424

이름 및 식별자

우선 이름
4-(4-Methylphenyl)-4-oxobutanoic acid
IUPAC
4-(4-methylphenyl)-4-oxobutanoic acid
영어명
3-(4-Methylbenzoyl)propionic acid
분자식
C11H12O3
분자량
192.21

이름 및 동의어

4619-20-94-Oxo-4-(p-tolyl)butanoic acid4-(4-Methylphenyl)-4-oxobutanoic acidPropionic acid, 3-p-toluoyl-ZYB7JU7CMX3-p-Toluoylpropionic acidNSC-54788beta-(4-Methylbenzoyl)propionic acid4-methyl-gamma-oxobenzenebutanoic acid.BETA.-(4-METHYLBENZOYL)PROPIONIC ACID4-METHYL-.GAMMA.-OXOBENZENEBUTANOIC ACIDZOLPIDEM TARTRATE IMPURITY C [EP IMPURITY]
이름 더 보기
3-(4-METHYLBENZOYL)PROPANOIC ACIDAURORA 7994AKOS BB-9554AKOS BBS-00003761Zolpidem Impurity 11Zolpidem EP Impurity CTolyoyl Propionic acidTolyloyl Propionic AcidMethylbenzoylpropionicacid
ZOLPIDEM TARTRATE IMPURITY C (EP IMPURITY)RefChem:514417610-285-93-(4-Methylbenzoyl)propionic acid4-(4-Methylphenyl)-4-oxobutyric acidMFCD00020541UNII-ZYB7JU7CMXBenzenebutanoic acid, 4-methyl-gamma-oxo-

데이터베이스 식별자

CAS
4619-20-9
PubChem CID
244162
DTXSID
DTXSID00288225
ChEMBL
CHEMBL1483046
UNII
ZYB7JU7CMX
EC Number
610-285-9
Nikkaji
J27.619G

물성

구조 계산 물성

XLogP
1.9
극성 표면적
54.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
14

물리화학적 성질

녹는점
127 · 127-130 °C(lit.)
끓는 점
288.19 °C · 288.19°C (rough estimate)
밀도
1.143 · 1.1430 (rough estimate)
굴절률
1.534 · 1.5340 (estimate)
저장 조건
Sealed in dry,Room Temperature
물리적 상태
powder to crystal

화학적 성질

White to light beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): 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 45 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 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

안전 데이터

wgk
3
HS 번호
2915601990
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

용도3-(4-Methylbenzoyl)propionic acid can be used as an intermediate in agrochemical, pharmaceutical and dyestuff field

일반 설명4-(4-Methylphenyl)-4-oxobutyric acid is an organic building block. It is a commercial corrosion inhibitor.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州市弘裕化工有限公司0519-89996110 13813691203 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

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4-(4-Methylphenyl)-4-oxobutanoic acid (HCID 244162)｜Huagongshe