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Pivalic acid solution - 1 M in dichloromethane, high purity , CAS No.75-98-9

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Pivalic acid solution - 1 M in dichloromethane, high purity , CAS No.75-98-9

13 Citations

COA

Grade & Purity:

1 M in dichloromethane

Cas Number: 75-98-9
Molecular Weight: 102.13
Beilstein Registry Number: 969480
EC Number: 200-922-5
PubChem CID: 6417

In stock

Item Number

P433638

Grouped product items
SKU	Size	Availability	Price	Qty
P433638-25ml	25ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$114.90
P433638-100ml	100ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$306.90

Basic Description

Synonyms	EC 200-922-5 \| trimethyl acetic acid \| EN300-21285 \| PIV \| Tox21_200425 \| Neopentanoic acid \| Pivalic acid; \| P0461 \| tert-Butyl carboxylic acid \| Pivalinsaure \| PivOH \| PIVALIC ACID [MI] \| A838577 \| D78007 \| MFCD00004194 \| Kyselina pivalova \| pivaloic ac
Specifications & Purity	1 M in dichloromethane
Product Description	Application Valuable building block offered as a solution in dichloromethane for more convenient handling.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acids

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acids
Intermediate Tree Nodes	Not available
Direct Parent	Carboxylic acids
Alternative Parents	Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
External Descriptors	Branched fatty acids
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

K562 (73714 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FFAR3 Tchem Free fatty acid receptor 3 (304 Activities)

Discover Target: FFAR3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2,2-dimethylpropanoic acid
INCHI	InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
InChIKey	IUGYQRQAERSCNH-UHFFFAOYSA-N
Smiles	CC(C)(C)C(=O)O
Isomeric SMILES	CC(C)(C)C(=O)O
WGK Germany	1
RTECS	TO7700000
UN Number	3261
Packing Group	I
Molecular Weight	102.13
Beilstein	969480
Reaxy-Rn	969480
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969480&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Freezing Point(°C)	34 °C
Flash Point(°F)	147.2 °F
Flash Point(°C)	63℃
Boil Point(°C)	163-164°C
Melt Point(°C)	34°C
Molecular Weight	102.130 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	102.068 Da
Monoisotopic Mass	102.068 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	78.600
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products? Citations Search

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