Basic information
- CAS
78515-16-9- Standard SMILES
COC(=O)c1cc(C=O)ccc1OC- InChIKey
CNRMXICSYWVJRD-UHFFFAOYSA-N- Molecular formula
- C10H10O4
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.0579088
Names & identifiers
- Preferred name
- Methyl 5-formyl-2-methoxybenzoate
- IUPAC
- methyl 5-formyl-2-methoxybenzoate
- English name
- Methyl 5-formyl-2-methoxybenzoate
- Molecular formula
- C10H10O4
- Molecular weight
- 194.18
Names & synonyms
METHYL 5-FORMYL-2-METHOXYBENZOATE78515-16-9DTXSID60446041RefChem:356086DTXCID30396862810-013-0Methyl5-formyl-2-methoxybenzoateMFCD10565654SCHEMBL1505421CS-M31144-methoxy-3-methoxycarbonylbenzaldehydeAC-22887
Show more names
EOS-61914Methoxy esterEluxadoline int4Eluxadoline Intermediate 35-formyl-2-methoxybenzamide5-Formyl-2-methoxybenzoic Acid Methyl Ester5-Formyl-2-methoxyl-benzoic acid methyl esterEluxadoline: Methyl 5-formyl-2-methoxybenzoate
DS-17501M3327EN300-248462Z1198274857Benzoic acid, 5-formyl-2-methoxy-, methyl esterAMY40860BCP17120FT-0690135
Database identifiers
- CAS
78515-16-9- PubChem CID
- 10856352
- DTXSID
DTXSID60446041- EC Number
- 810-013-0
- Nikkaji
- J1.802.431D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 86 · 86-87 °C
- Boiling point
- 163 · 163-165 °C(Press: 1 Torr)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C10H10O4/c1-13-9-4-3-7(6-11)5-8(9)10(12)14-2/h3-6H,1-2H3
- InChIKey
- CNRMXICSYWVJRD-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C1=CC(C=O)=CC=C1OC
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2918999090 · 2918999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)
Safety data
- hs_code
- 2918999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesMethyl 5-Formyl-2-methoxybenzoate is an intermediate used to synthesize peroxisome proliferator-activated receptor (PPAR) activators. It is also used to prepare 1,4-bis(3-hydroxycarbonyl-4-hydroxyl)styrylbenzene derivatives as PTP1B inhibitors.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
山东普创医药科技有限公司18953403321 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
T&W GROUP021-61551611 13296011611 · [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]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
上海波以尔化工有限公司[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Shangchem Co., Ltd.+86-21-68182121
上海相辉医药科技有限公司13761987713 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
苏州国镝医药科技有限公司0512-62956210 · [email protected]
苏州永健生物医药有限公司0512-69561956 18015581618
上海翱承生物科技有限公司19512299079,021-31371965,15000810423 19512299079;15000810423
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Synbest Biotech(Hangzhou) Co., Ltd86-571-88737065 13857150199 · [email protected]
尚科生物医药（上海）有限公司021-68187180 13681683526 · [email protected]
苏州月朗星稀化学有限公司0512-62857507 · [email protected]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
杭州泛凯科技有限公司86-0571-87649320 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
天津安浩生物科技有限公司[email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
上海皓元医药股份有限公司021-58950125 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
南京欣丰康生物科技有限公司025-84683399 13952017251 · [email protected]
西安美川生物科技有限公司029-89275612 +8618991951683 · [email protected]
Hangzhou Proserre Chemical Co.,Ltd.+86-571-86088112 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
浙江泽天精细化工有限公司0571-87322520 18957127338 · [email protected]
Beijing Yibai Biotechnology Co., Ltd0086-182-6772-3597 · [email protected]
南京科晟祥科技有限公司18252089365 · [email protected]
Related reactions
35 records
Compound notes
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