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Basic information
- CAS
5411-14-3- Standard SMILES
O=C(O)COc1ccccc1OCC(=O)O- InChIKey
PPZYHOQWRAUWAY-UHFFFAOYSA-N- Molecular formula
- C10H10O6
- Average molar mass
- 226.18 g/mol
- Monoisotopic mass
- 226.04773803
Names & identifiers
- Preferred name
- 2,2'-(1,2-Phenylenebis(oxy))bisacetic acid
- IUPAC
- 2-[2-(carboxymethoxy)phenoxy]acetic acid
- English name
- 1,2-Phenylenedioxydiacetic acid
- Molecular formula
- C10H10O6
- Molecular weight
- 226.18
Names & synonyms
2-[2-(carboxymethoxy)phenoxy]acetic acid2,2'-(1,2-Phenylenebis(oxy))bisacetic acidZP8B6C5756EINECS 226-488-7NSC-10926DTXSID70202453Acetic acid, 2,2'-[1,2-phenylenebis(oxy)]bis-NSC 109262,2'-[1,2-phenylenebis(oxy)]bisacetic acid2-(2-(CARBOXYMETHOXY)PHENOXY)ACETIC ACID2,2'-(1,2-PHENYLENEBIS(OXY))BIS(ACETIC ACID)ACETIC ACID, 2,2'-(1,2-PHENYLENEBIS(OXY))BIS-
Show more names
CATECHOL-O,O-DIACETIC ACIDCATECHOL-O,O'-DIACETIC ACID2,2'-(1,2-Phenylenebis(oxy)pyrocatechol-o,o-diacetic acid1,2-Phenylenebisoxydiacetic acidCatechol-O,O'-diacetic acid, 97+%1,2-DIHYDROXYBENZENE-O,O-DIACETIC ACID2,2'-(o-Phenylenebisoxy)bisacetic acid
RefChem:440105DTXCID70124944226-488-75411-14-3o-Phenylenedioxydiacetic acid1,2-Phenylenedioxydiacetic acid2,2'-(1,2-Phenylenebis(oxy))diacetic acid2,2-(1,2-Phenylenebis(oxy))diacetic acid
Database identifiers
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Melting point
- 179 · 179-183 °C
- Boiling point
- 422.9 · 422.9±25.0 °C(Predicted)
- Density
- 1.416 · 1.416±0.06 g/cm3(Predicted)
- bulk density
- 140 kg/m3 · 140kg/m3
- storage temp.
- 30 °C · Store below +30°C.
- pka
- 2.86 · 2.86±0.10(Predicted)
- form
- powder
- Appearance
- Light yellow to brown Solid
- BRN
- 2057228 · 2057228
- InChI
- 1S/C10H10O6/c11-9(12)5-15-7-3-1-2-4-8(7)16-6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
- InChIKey
- PPZYHOQWRAUWAY-UHFFFAOYSA-N
- CAS DataBase Reference
- 5411 · 5411-14-3(CAS DataBase Reference)
- FDA UNII
- 8 B6C5756 · ZP8B6C5756
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 7 · GHS07
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
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, 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationAcetic acid, 2,2'-[1,2-phenylenebis(oxy)]bis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Regulatory information
Regulatory InformationAcetic acid, 2,2'-[1,2-phenylenebis(oxy)]bis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemistry & industry
Suppliers69 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司
Related reactions
9 records
Compound notes
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