5-Acetylsalicylic Acid - 10mM in DMSO , CAS No.13110-96-8

CAS: 13110-96-8 Cat. No.: A421206 Molecular Weight: 180.16 EC Number: 236-037-6
AVAILABLE TO ORDER
GRADE & PURITY 10mM in DMSO
Synonyms
TS-02514 | EINECS 236-037-6 | Benzoic acid,5-acetyl-2-hydroxy- | 5-acetyl-2-hydroxybenzoicacid | s4789 | CCG-266429 | DTXSID20156896 | Benzoic acid, 5-acetyl-2-hydroxy- | MFCD00013978 | CHEBI:182973 | 5-Acetylsalicylic acid, AldrichCPR | HY-107831 | SCHEM
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1ml
A421206-1ml
2

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$69.90
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
TS-02514 | EINECS 236-037-6 | Benzoic acid, 5-acetyl-2-hydroxy- | 5-acetyl-2-hydroxybenzoicacid | s4789 | CCG-266429 | DTXSID20156896 | Benzoic acid, 5-acetyl-2-hydroxy- | MFCD00013978 | CHEBI:182973 | 5-Acetylsalicylic acid, AldrichCPR | HY-107831 | SCHEM
Specifications & Purity
10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Canonical SmilesCC(=O)C1=CC(=C(C=C1)O)C(=O)O
IUPAC Name5-acetyl-2-hydroxybenzoic acid
InChIKeyNZRDKNBIPVLNHA-UHFFFAOYSA-N
INCHI1S/C9H8O4/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-4,11H,1H3,(H,12,13)
Isomeric SMILES CC(=O)C1=CC(=C(C=C1)O)C(=O)O
Molecular Weight 180.16
Reaxy-Rn 2096968
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2096968&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Salicylic acids  Benzoic acids  Acetophenones  Benzoyl derivatives  Aryl alkyl ketones  1-hydroxy-2-unsubstituted benzenoids  Vinylogous acids  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Alkyl-phenylketone - Hydroxybenzoic acid - Salicylic acid - Salicylic acid or derivatives - Acetophenone - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HAO1 Tclin Hydroxyacid oxidase 1 (99 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
L929 (3802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SensitivityMoisture sensitive
Melt Point(°C)218 °C
Molecular Weight180.160 g/mol
XLogP32.200
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass180.042 Da
Monoisotopic Mass180.042 Da
Topological Polar Surface Area74.600 Ų
Heavy Atom Count13
Formal Charge0
Complexity224.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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