Basic information
- CAS
1878-80-4- Standard SMILES
CC(=O)c1cccc(OCC(=O)O)c1- InChIKey
VDZJGFDUSYCVJA-UHFFFAOYSA-N- Molecular formula
- C10H10O4
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.0579088
Names & identifiers
- Preferred name
- (3-Acetylphenoxy)acetic Acid
- IUPAC
- 2-(3-acetylphenoxy)acetic acid
- English name
- (3-ACETYLPHENOXY)ACETIC ACID
- Molecular formula
- C10H10O4
- Molecular weight
- 194.18
Names & synonyms
(3-Acetylphenoxy)acetic AcidDTXSID40287237RefChem:399789DTXCID40238385677-112-71878-80-42-(3-acetylphenoxy)acetic acidAcetic acid, 2-(3-acetylphenoxy)-MFCD02180947(3-Acetylphenoxy)aceticacidNSC49802Maybridge1_008932
Show more names
(3-Acetylphenoxy)acetic Acid >Acetic acid,2-(3-acetylphenoxy)-2-(3-ethanoylphenoxy)ethanoic acid
2-(3-acetylphenoxy)aceticacidSCHEMBL4060556(3-acetyl-phenoxy)-acetic acidSCHEMBL29953637HMS566N22VDZJGFDUSYCVJA-UHFFFAOYSA-NNSC-49802SBB091718
Database identifiers
- CAS
1878-80-4- PubChem CID
- 241887
- DTXSID
DTXSID40287237- EC Number
- 677-112-7
- Nikkaji
- J1.605.557C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
LogP1.34
Physicochemical properties
- Melting point
- 117 · 117-121
- Boiling point
- 348.4 · 348.4±17.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.1 · 3.10±0.10(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- CAS DataBase Reference
- 1878 · 1878-80-4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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
- hs_code
- 2918.99.4700
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses(3-Acetylphenoxy)acetic Acid is a useful reagent used in the synthesis of chalcones with antibacterial activity.
Suppliers38 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]
山东普创医药科技有限公司18953403321 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [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]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Related reactions
2 records
Compound notes
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