Basic information
- CAS
3753-05-7- Standard SMILES
O=C(O)c1ccc(OCCOc2ccc(C(=O)O)cc2)cc1- InChIKey
VAXBLYWAVAIJJJ-UHFFFAOYSA-N- Molecular formula
- C16H14O6
- Average molar mass
- 302.28 g/mol
- Monoisotopic mass
- 302.07903816
Names & identifiers
- Preferred name
- 4,4'-(1,2-Ethanediylbis(oxy))bisbenzoic acid
- IUPAC
- 4-[2-(4-carboxyphenoxy)ethoxy]benzoic acid
- English name
- Ethylene glycol bis(4-carboxyphenyl) ether
- Molecular formula
- C16H14O6
- Molecular weight
- 302.28
Names & synonyms
Benzoic acid, 4,4'-[1,2-ethanediylbis(oxy)]bis-DTXSID40631674,4'-(1,2-Ethanediylbis(oxy))bisbenzoic acidEINECS 223-155-84,4'-[1,2-ethanediylbis(oxy)]bis(benzoic acid)Benzoic acid, 4,4'-(1,2-ethanediylbis(oxy))bis-4,4'-[1,2-ethanediylbis(oxy)]bisbenzoic acid4,4'-(1,2-Ethanediylbis(oxy))bis(benzoic acid)4,4'-[1,2-Ethanediylbis(oxy)]bis[benzoic acid]RefChem:506413DTXCID5039353223-155-8
Show more names
4,4-ethanediyldioxydibenzoic acid4,4'-(Ethylenedioxy)dibenzoic acid4,4'-(ETHYLENEDIOXY)DIBENZOIC ACIDethyleneglycolbiscarboxyphenylether4,4'-(Ethylenebisoxy)dibenzoic acid4,4'-[Ethylenebis(oxy)]bisbenzoic acidthylene Glycol Bis(4-carboxyphenyl) EtherETHYLENE GLYCOL BIS(P-CARBOXYPHENYL) ETHER
3753-05-7Ethylene Glycol Bis(4-carboxyphenyl) Ether4,4'-(Ethane-1,2-diylbis(oxy))dibenzoic acid4-[2-(4-carboxyphenoxy)ethoxy]benzoic acidMFCD000203651,2-Bis(4-carboxyphenoxy)ethane4,4'-[ethane-1,2-diylbis(oxy)]dibenzoic acidSCHEMBL196110
Database identifiers
- CAS
3753-05-7- PubChem CID
- 77358
- DTXSID
DTXSID4063167- ChEMBL
CHEMBL2380550- EC Number
- 223-155-8
- Nikkaji
- J382.993F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 331
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 352 · 352-355 °C
- Boiling point
- 546.2 · 546.2±35.0 °C(Predicted)
- Density
- 1.353 · 1.353±0.06 g/cm3(Predicted)
- pka
- 4.1 · 4.10±0.10(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- EPA Substance Registry System
- 4 · Benzoic acid, 4,4'-[1,2-ethanediylbis(oxy)]bis- (3753-05-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H317-H400
- Precautionary statements
- 261 · P261-P272-P273-P280-P302+P352-P312-P333+P313-P362+P364-P391-P501
- TSCA
- TSCA listed
- HS Code
- 2918.99 · 2918.99.5000
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
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2918.99.5000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H317-H400
- Precautionary statements
- P261-P272-P273-P280-P302+P352-P312-P333+P313-P362+P364-P391-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4,4'-[1,2-ethanediylbis(oxy)]bis-: INACTIVE
Suppliers31 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
江苏南创化学与生命健康研究院有限公司15720605021 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
2 records
Compound notes
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