Methyl 5-allyl-3-methoxysalicylate

HCID 3020842CAS 85614-43-3

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Basic information

Standard SMILES: C=CCc1cc(OC)c(O)c(C(=O)OC)c1
InChIKey: LYSUGZLJKRSLHM-UHFFFAOYSA-N
Molecular formula: C12H14O4
Average molar mass: 222.24 g/mol
Monoisotopic mass: 222.08920893

Names & identifiers

Preferred name: Methyl 5-allyl-3-methoxysalicylate
IUPAC: Methyl 2-hydroxy-3-methoxy-5-(prop-2-en-1-yl)benzoate
English name: Methyl 5-allyl-3-methoxysalicylate
Molecular formula: C12H14O4
Molecular weight: 222.24

Names & synonyms

Methyl 5-allyl-3-metMETHYL 5-ALLYL-3-METHOXYSALICYLATEMethyl5-Allyl-3-methoxysalicylate>Methyl 5-allyl-3-methoxysalicylate 97%METHYL 5-ALLYL-2-HYDROXY-3-METHOXYBENZOATE5-Allyl-3-methoxysalicylic Acid Methyl Estermethyl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate5-Allyl-2-hydroxy-3-methoxybenzoic Acid Methyl Ester5-ene Propyl-2-Hydroxy-3-MethoxyBenzoic acid methyl ester2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid methyl ester

Database identifiers

CAS: 85614-43-3
PubChem CID: 3020842
DTXSID: DTXSID00234843
EC Number: 287-929-7
Nikkaji: J333.906H

Properties

Physicochemical properties

Melting point: 54 · 54-58 °C (lit.)
Boiling point: 174 °C/12mmHg · 174°C/12mmHg(lit.)
Density: 1.144 · 1.144±0.06 g/cm3(Predicted)
Flash point: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
solubility: soluble in Toluene
form: powder to crystal
pka: 10.1 · 10.10±0.23(Predicted)
color: White to Almost white
InChI: 1S/C12H14O4/c1-4-5-8-6-9(12(14)16-3)11(13)10(7-8)15-2/h4,6-7,13H,1,5H2,2-3H3
InChIKey: LYSUGZLJKRSLHM-UHFFFAOYSA-N
SMILES: COC(=O)c1cc(CC=C)cc(OC)c1O
CAS DataBase Reference: 85614 · 85614-43-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 29189900 · 29189900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29189900
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H319-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P270-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesMethyl 5-Allyl-3-methoxysalicylate is a reactant in the synthesis of Fallypride (F101115), enterobactin scaffolds and allylic amines.

Upstream & downstream products

Upstream raw materials

Suppliers50 total

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]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

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