메틸3-(4-하이드록시페닐)프로피오네이트

Benzenepropanoic acid, 4-hydroxy-, methyl ester

HCID 79706CAS 5597-50-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COC(=O)CCc1ccc(O)cc1
InChIKey
XRAMJHXWXCMGJM-UHFFFAOYSA-N
분자식
C10H12O3
평균 분자량
180.2 g/mol
단동위원소 질량
180.07864424

이름 및 식별자

우선 이름
Benzenepropanoic acid, 4-hydroxy-, methyl ester
IUPAC
methyl 3-(4-hydroxyphenyl)propanoate
현지명
메틸3-(4-하이드록시페닐)프로피오네이트
영어명
Methyl 3-(4-hydroxyphenyl)propionate
분자식
C10H12O3
분자량
180.2

이름 및 동의어

Methyl 3-(4-hydroxyphenyl)propionate5597-50-2Methyl 3-(4-hydroxyphenyl)propanoateBenzenepropanoic acid, 4-hydroxy-, methyl esterWAT13AU7XB4-Hydroxybenzenepropanoic acid methyl esterCHEBI:176565DTXSID90204550methyl 3-[4-hydroxyphenyl)propionateRefChem:814889DTXCID20127041623-567-1
이름 더 보기
메틸3-(4-하이드록시페닐)프로피오네이트4-hydroxy-benzenepropanoic acid methyl esterMethyl p-hydroxyphenylpropionateEsmolol Impurity 11 HClMethyl 4-hydroxyphenylpropionateMethyl 3-(4-hydroxyphenyl)propiotep-Dihydrocoumaric acid methyl ester
MFCD000715773-(4-Hydroxyphenyl)propionic Acid Methyl EsterMethyl p-hydroxyhydrocinnamateHydrocinnamic acid, p-hydroxy-, methyl esterMethyl 3-(p-hydroxyphenyl)propionateMethyl 4-hydroxyhydrocinnamate3-(4-hydroxyphenyl)propanoic acid methyl esterMethyl3-(4-hydroxyphenyl)propionate

데이터베이스 식별자

CAS
5597-50-2
PubChem CID
79706
DTXSID
DTXSID90204550
ChEMBL
CHEMBL445197
ChEBI
CHEBI:176565
UNII
WAT13AU7XB
EC Number
623-567-1
Nikkaji
J101.862K

물성

구조 계산 물성

XLogP
2
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
13

실험 및 물리화학적 성질

Kovats Retention Index1595.2

물리화학적 성질

녹는점
39 · 39-41 °C (lit.)
끓는 점
108 °C/11 · 108 °C/11 mmHg (lit.)
밀도
1.1272 · 1.1272 (rough estimate)
굴절률
1.516 · 1.5160 (estimate)
인화점
230 °F · >230 °F
저장 조건
Keep in dark place,Sealed in dry,Room Temperature

화학적 성질

white transparent low melting mass

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 (100%): 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 4 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 (100%)

안전 데이터

wgk
3
HS 번호
29181990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3

화학 및 산업

응용 분야

용도Methyl 3-(4-hydroxyphenyl)propionate may be used in the enzymatic coupling of saccharides to protein.

일반 설명Methyl 3-(4-hydroxyphenyl)propionate is reported to be responsible for biological nitrification inhibition in sorghum (Sorghum bicolor).

상·하류 제품 정보

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]
合肥翰刚医药科技有限公司+8618062405514 · [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]

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