Basic information
- CAS
6318-20-3- Standard SMILES
COc1cc(C(=O)O)cc(OC)c1OC(C)=O- InChIKey
VEJHIZHVFWVWRQ-UHFFFAOYSA-N- Molecular formula
- C11H12O6
- Average molar mass
- 240.21 g/mol
- Monoisotopic mass
- 240.0633881
Overview
Syringic acid acetate is a phenyl acetate obtained by the formal condensation of hydroxy group of syringic acid with acetic acid. It is a member of phenyl acetates, a member of benzoic acids and a dimethoxybenzene. It is functionally related to a syringic acid.
Names & identifiers
- Preferred name
- Acetyl syringic acid
- IUPAC
- 4-acetyloxy-3,5-dimethoxybenzoic acid
- English name
- 4-Acetoxy-3,5-dimethoxybenzoic acid
- Molecular formula
- C11H12O6
- Molecular weight
- 240.21
Names & synonyms
Acetyl syringic acidRefChem:552462664-991-74-Acetoxy-3,5-dimethoxybenzoic acid6318-20-3Syringic Acid Acetate4-acetyloxy-3,5-dimethoxybenzoic acid4-(acetyloxy)-3,5-dimethoxybenzoic acidacetylsyringic acid4-acetoxy-3,5-dimethoxy-benzoic acidNSC15296MFCD00016516
Show more names
TIMTEC-BB SBB000792RARECHEM AL BE 0701O-acetylsyringic acid4-(Acetyloxy)-3,5-dimethoxy-benzoic acidBenzoic acid, 4-(acetyloxy)-3,5-dimethoxy-4-ACETOXY-3,5-DIMETHOXY BENZOIC ACID, ACETYL SYRINGIC ACID
SBB0007924-acetoxy-3,5-dimethoxy benzoic acidbmse010103SCHEMBL668055orb1992129CHEBI:86946DTXSID20280069NSC-15296
Database identifiers
- CAS
6318-20-3- PubChem CID
- 225680
- DTXSID
DTXSID20280069
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Melting point
- 190 · 190-191°C
- Boiling point
- 338.896 · 338.896±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.28 · 1.280±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 3.812 · 3.812±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers10 total
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海碧咸医药科技有限公司13816613772 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海禾午生物科技有限公司021-57886085 17317861055 · [email protected]
Additional notes
DefinitionChEBI: Syringic acid acetate is a phenyl acetate obtained by the formal condensation of hydroxy group of syringic acid with acetic acid. It is a dimethoxybenzene, a member of benzoic acids and a member of phenyl acetates. It is functionally related to a syringic acid.
Related reactions
23 records
Compound notes
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