Methyl 3-hydroxy-4-methylbenzoate
Grundinformationen
- CAS
3556-86-3- Standard-SMILES
COC(=O)c1ccc(C)c(O)c1- InChIKey
GCSINTLJUNXLLU-UHFFFAOYSA-N- Summenformel
- C9H10O3
- Durchschnittliche Molmasse
- 166,17 g/mol
- Monoisotopische Masse
- 166,06299418
Namen und Bezeichner
- Bevorzugter Name
- Methyl 3-hydroxy-4-methylbenzoate
- IUPAC
- methyl 3-hydroxy-4-methylbenzoate
- Englischer Name
- Methyl 3-hydroxy-4-methylbenzoate
- Summenformel
- C9H10O3
- Molmasse
- 166.17
Namen und Synonyme
methyl 3-hydroxy-4-methylbenzoate3556-86-3RefChem:815501841-076-2Methyl 4-Methyl-3-hydroxybenzoateMFCD002138083-Hydroxy-4-methyl-benzoic acid methyl esterMETHYL3-HYDROXY-4-METHYLBENZOATENSC604566BENZOIC ACID, 3-HYDROXY-4-METHYL-, METHYL ESTERMETHYL 3-HYDROXY-4-METHYLBENZATE3-hydroxy-4-methylbenzoic acid methyl ester
Weitere Namen anzeigen
3-HYDROXY-P-TOLUIC ACID METHYL ESTERMethyl 3-hydroxy-4-methylbenzoate 98%
3-Hydroxy-4-methylbenzoic Acid Methyl Ester; Methyl 3-Hydroxy-4-methylbenzoate; NSC 604566SCHEMBL1979723,4-Cresotic acid methyl esterSCHEMBL30809635GCSINTLJUNXLLU-UHFFFAOYSA-NMethyl-3-hydroxy-4-methylbenzoateALBB-013963methyl 3-hydroxy-4-methyl-benzoate
Datenbank-Bezeichner
- CAS
3556-86-3- PubChem CID
- 354091
- EC Number
- 841-076-2
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 167
Physikochemische Eigenschaften
- Schmelzpunkt
- 119 · 119.0-120.5 °C
- Siedepunkt
- 294.6 · 294.6±20.0 °C(Predicted)
- Dichte
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- Löslichkeit
- Acetone (Slightly), Chloroform (Slightly)
- pka
- 9.5 · 9.50±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Tan
- Stabilität
- Hygroscopic
- InChI
- InChI=1S/C9H10O3/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5,10H,1-2H3
- InChIKey
- GCSINTLJUNXLLU-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C1=CC=C(C)C(O)=C1
- CAS Datenbank
- 3556 · 3556-86-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- hazard_class
- IRRITANT
Chemie und Industrie
Anwendungen
VerwendenMethyl 4-Methyl-3-hydroxybenzoate is used in the preparation of potent antimalarial agents. Also used in the preparation of aromatic inhibtors of anthranilate synthase.
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陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
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上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海冬洋生物科技有限公司0512-13601744364 13601744364 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
常州金和生物科技有限公司18796930758 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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