Benzenepropanoic acid, 4-hydroxy-, methyl ester

HCID 79706CAS 5597-50-2
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Grundinformationen

Standard-SMILES
COC(=O)CCc1ccc(O)cc1
InChIKey
XRAMJHXWXCMGJM-UHFFFAOYSA-N
Summenformel
C10H12O3
Durchschnittliche Molmasse
180,2 g/mol
Monoisotopische Masse
180,07864424

Namen und Bezeichner

Bevorzugter Name
Benzenepropanoic acid, 4-hydroxy-, methyl ester
IUPAC
methyl 3-(4-hydroxyphenyl)propanoate
Englischer Name
Methyl 3-(4-hydroxyphenyl)propionate
Summenformel
C10H12O3
Molmasse
180.2

Namen und Synonyme

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
Weitere Namen anzeigen
4-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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2
Polarare Oberfläche (TPSA)
46,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
4
Schwere Atome
13

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1595.2

Physikochemische Eigenschaften

Schmelzpunkt
39 · 39-41 °C (lit.)
Siedepunkt
108 °C/11 · 108 °C/11 mmHg (lit.)
Dichte
1.1272 · 1.1272 (rough estimate)
Brechungsindex
1.516 · 1.5160 (estimate)
Flammpunkt
230 °F · >230 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk
3
hs_code
29181990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Anwendungen

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

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter50 Anbieter

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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