Basic information
- CAS
614-82-4- Standard SMILES
O=C(O)Cc1ccc(O)cc1O- InChIKey
FSQDURCMBCGCIK-UHFFFAOYSA-N- Molecular formula
- C8H8O4
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.04225873
Names & identifiers
- Preferred name
- 2,4-Dihydroxyphenylacetic acid
- IUPAC
- 2-(2,4-dihydroxyphenyl)acetic acid
- English name
- 2,4-dihydroxyphenylacetic acid
- Molecular formula
- C8H8O4
- Molecular weight
- 168.15
Names & synonyms
2,4-Dihydroxyphenylacetic acid614-82-4Benzeneacetic acid, 2,4-dihydroxy-LHB7I6AA5XDTXSID1060635RefChem:824632,4-DHPADTXCID3043027210-397-42-(2,4-dihydroxyphenyl)acetic acid2,4-Dihydroxybenzeneacetic acid(2,4-dihydroxyphenyl)acetic acid
Show more names
2-(2,4-dihydroxyphenyl)aceticaci2-(2,4-dihydroxyphenyl)ethanoic acid
Homo-beta-resorcylic acidEINECS 210-397-4dioxyphenylacetic acidUNII-LHB7I6AA5X2,4-DihydroxyphenylaceticacidSCHEMBL156238orb1685028SCHEMBL29419312
Database identifiers
- CAS
614-82-4- PubChem CID
- 69199
- DTXSID
DTXSID1060635- UNII
- LHB7I6AA5X
- EC Number
- 210-397-4
- Nikkaji
- J287.460A
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 419 · 419.0±14.0 °C(Predicted)
- Density
- 1.478 · 1.478±0.06 g/cm3(Predicted)
- pka
- 4.38 · 4.38±0.10(Predicted)
- FDA UNII
- 7 I6AA5X · LHB7I6AA5X
- EPA Substance Registry System
- 2 · Benzeneacetic acid, 2,4-dihydroxy- (614-82-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzeneacetic acid, 2,4-dihydroxy-: INACTIVE
Applications
Uses2,4-Dihydroxyphenylacetic acid (compound 3) is a natural product that can be obtained from Nigella damascene L. seeds[1].
Suppliers33 total
上海摩睿化学科技有限公司13382110328 15255501563 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
ALB Technology Limited702-983-3769 · [email protected]
Related reactions
2 records
Compound notes
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