Basic information
- CAS
17689-42-8- Standard SMILES
O=C(O)c1ccccc1C(=O)OCCO- InChIKey
NTINFTOOVNKGIU-UHFFFAOYSA-N- Molecular formula
- C10H10O5
- Average molar mass
- 210.18 g/mol
- Monoisotopic mass
- 210.05282342
Names & identifiers
- Preferred name
- 2-Hydroxyethyl hydrogen phthalate
- IUPAC
- 2-(2-hydroxyethoxycarbonyl)benzoic acid
- English name
- 2-hydroxyethyl hydrogen phthalate
- Molecular formula
- C10H10O5
- Molecular weight
- 210.18
Names & synonyms
17689-42-82-Hydroxyethyl hydrogen phthalateEINECS 241-676-9RefChem:261872241-676-92-((2-Hydroxyethoxy)carbonyl)benzoic acid2-[(2-hydroxyethoxy)carbonyl]benzoic acid2-(2-hydroxyethoxycarbonyl)benzoic acidMFCD005177212-[(2-hydroxyethoxy)carbonyl]benzoate2-((2-Hydroxyethoxy)carbonyl)benzoicacidCBDivE_000399
Show more names
Butylphthalide Impurity 51Phthalic acid 1-(2-hydroxyethyl) ester2 - ((2 - Hydroxyethoxy)carbonyl)benzoic acid1,2-Benzenedicarboxylic acid, 1-(2-hydroxyethyl) ester1,2-Benzenedicarboxylic acid hydrogen 1-(2-hydroxyethyl) ester
SCHEMBL159456SCHEMBL29668022DTXSID70938866NTINFTOOVNKGIU-UHFFFAOYSA-NHMS1610K11SAA68942AKOS000647155CCG-106450
Database identifiers
- CAS
17689-42-8- PubChem CID
- 87243
- DTXSID
DTXSID70938866- EC Number
- 241-676-9
- Nikkaji
- J287.121A
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 115.3 °C · 115.3 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 428.3 · 428.3±30.0 °C(Predicted)
- Density
- 1.365 · 1.365±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 3.34 · 3.34±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers10 total
上海遐瑞医药科技有限公司+86 21 61551611
上海默达医药科技有限公司+86 (0)21 51320687 51371369 1744605818
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
郑州睿科生化科技有限公司18521304688;17324816296 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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