3-Hydroxy-4-methoxybenzenepropanoic acid

HCID 2752054CAS 1135-15-5
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Grundinformationen

Standard-SMILES
COc1ccc(CCC(=O)O)cc1O
InChIKey
ZVIJTQFTLXXGJA-UHFFFAOYSA-N
Summenformel
C10H12O4
Durchschnittliche Molmasse
196,2 g/mol
Monoisotopische Masse
196,07355886

Namen und Bezeichner

Bevorzugter Name
3-Hydroxy-4-methoxybenzenepropanoic acid
IUPAC
3-(3-hydroxy-4-methoxyphenyl)propanoic acid
Englischer Name
3-(3-Hydroxy-4-methoxyphenyl)propionic acid
Summenformel
C10H12O4
Molmasse
196.2

Namen und Synonyme

1135-15-53-(3-HYDROXY-4-METHOXYPHENYL)PROPIONIC ACID3-Hydroxy-4-methoxybenzenepropanoic acidHydroisoferulic AcidBenzenepropanoic acid, 3-hydroxy-4-methoxy-UNII-4AC7M5U2UE4AC7M5U2UEDTXSID70150425HYDROCINNAMIC ACID, 3-HYDROXY-4-METHOXY-.BETA.-(3-HYDROXY-4-METHOXYPHENYL)PROPIONIC ACIDRefChem:94162beta-(3-Hydroxy-4-methoxyphenyl)propionic Acid
Weitere Namen anzeigen
Dihydroisoferulic acid (Standard)3-(3-Hydroxy-4-methoxyphenyl)propanoicaciβ-(3-Hydroxy-4-Methoxyphenyl)propionic Acid3-(3-HYDROXY-4-METHOXYPHENYL)PROPIONIC ACID USP/EP/BP
DTXCID20729163-(3-hydroxy-4-methoxyphenyl)propanoic acidDihydroisoferulic acid3-Hydroxy-4-methoxy-benzenepropanoic Acid3-(3-Hydroxy-4-methoxyphenyl)propionic Acid (Dihydroisoferulic Acid)MFCD014445193-(3-hydroxy-4-methoxyphenyl) propionic acidSCHEMBL490726

Datenbank-Bezeichner

CAS
1135-15-5
PubChem CID
2752054
DTXSID
DTXSID70150425
ChEMBL
CHEMBL338727
ChEBI
CHEBI:189726
UNII
4AC7M5U2UE
EC Number
683-144-2
Nikkaji
J1.434.596E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,7
Polarare Oberfläche (TPSA)
66,8 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
4
Schwere Atome
14

Physikochemische Eigenschaften

Schmelzpunkt
145 · 145-147°C
Siedepunkt
378.8 · 378.8±27.0 °C(Predicted)
Dichte
1.259 · 1.259±0.06 g/cm3(Predicted)
storage temp.
-20 °C · -20°C Freezer
Löslichkeit
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand
Solid

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 3 reports by companies from 3 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. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk
WGK 3
risk_code
22
hazard_code
Xn
Speicherklasse
11 - Combustible Solids
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden3-(3-Hydroxy-4-methoxyphenyl)propionic Acid is a useful synthetic intermediate in the preparation of pharmaceuticals.

Anbieter36 Anbieter

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Aladdin Scientific[email protected]

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