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Basic information
- CAS
183322-16-9- Standard SMILES
CCOC(=O)c1ccc(OCCOC)c(OCCOC)c1- InChIKey
VGFZRAVMWXHEJB-UHFFFAOYSA-N- Molecular formula
- C15H22O6
- Average molar mass
- 298.33 g/mol
- Monoisotopic mass
- 298.14163842
Names & identifiers
- Preferred name
- Ethyl 3,4-bis(2-methoxyethoxy)benzoate
- IUPAC
- ethyl 3,4-bis(2-methoxyethoxy)benzoate
- English name
- Ethyl 3,4-bis(2-methoxyethoxy)benzoate
- Molecular formula
- C15H22O6
- Molecular weight
- 298.33
Names & synonyms
ethyl 3,4-bis(2-methoxyethoxy)benzoate183322-16-9Benzoic acid, 3,4-bis(2-methoxyethoxy)-, ethyl esterDTXSID40384593EC 605-991-9RefChem:138644DTXCID50335617605-991-93,4-Bis(2-methoxyethoxy)benzoic acid ethyl esterMFCD01935284C15H22O6Erlotinib Impurity 118
Show more names
ERLOTINIBINT-BErlotinib interMediate IIEthyl 3,4-bis(2-methoxyethoxy)3,4-bis(2-methoxyethoxy)benzoateErlotinib Hydrochloride iMpurity 30Thyl3,4-bis(2-methoxyethoxy)benzoate3,-bis(2-methoxyethoxy)-benzoic acid ethyl esterBenzoic acid,3,4-bis(2-Methoxyethoxy)-, ethyl ester
PDJ499URB3SCHEMBL263238VGFZRAVMWXHEJB-UHFFFAOYSA-NCCG-41047AKOS000282910AC-8521FD16016IB31255
Database identifiers
- CAS
183322-16-9- PubChem CID
- 2808992
- DTXSID
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Melting point
- 55 · 55-58 °C
- Boiling point
- 401.7 · 401.7±45.0 °C(Predicted)
- Density
- 1.102 · 1.102
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Almost white
- InChI
- InChI=1S/C15H22O6/c1-4-19-15(16)12-5-6-13(20-9-7-17-2)14(11-12)21-10-8-18-3/h5-6,11H,4,7-10H2,1-3H3
- InChIKey
- VGFZRAVMWXHEJB-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)C1=CC=C(OCCOC)C(OCCOC)=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- HS Code
- 2916.31 · 2916.31.5000
- REACH Registrations
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 ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationStatus: Cease Manufacture Update: 06-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/6953
Hazard Classes and CategoriesNot Classified
Regulatory information
Regulatory InformationStatus: Cease Manufacture Update: 06-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/6953
Safety data
- hs_code
- 2916.31.5000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Inactive
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
Uses3,4-bis(2-Methoxyethoxy)benzoic Acid Ethyl Ester is a compound used in the synthesis of Erlotinib (E625008), a cancer treatment medicine.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司
Related reactions
9 records
Compound notes
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