This is a demo store. No orders will be fulfilled.

 
Call +1 (833) 552-7181 or Contact us
Toggle Nav
My Cart
Search
Advanced Search
Menu
Account
Settings
྾
main product photo

2,2-Dimethylbutyric Acid - 98%, high purity , CAS No.595-37-9

COA COA
    Grade & Purity:
  • ≥98%
In stock
Item Number
D102023
Grouped product items
SKU Size
Availability
 Price Qty
D102023-5ml
5ml
3
$9.90
D102023-25ml
25ml
3
$26.90
D102023-100ml
100ml
2
$95.90
D102023-500ml
500ml
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$266.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet
View related series
Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms FT-0609269 | 1219804-04-2 | Butanoic acid, 2,2-dimethyl- | EC 209-865-0 | 2.2-Dimethylbutyric acid | AKOS009158866 | Dimebutic Acid | Tox21_200740 | Q27117928 | W-105316 | alpha,alpha-Dimethylbutyric acid | HMS3039B09 | InChI=1/C6H12O2/c1-4-6(2,3)5(7)8/h4
Specifications & Purity ≥98%
Storage Temp Argon charged
Shipped In Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Lipids and lipid-like molecules
Class Fatty Acyls
Subclass Fatty acids and conjugates
Intermediate Tree Nodes Branched fatty acids
Direct Parent Methyl-branched fatty acids
Alternative Parents Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aliphatic acyclic compounds
Substituents Methyl-branched fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - 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 methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present.
External Descriptors Branched fatty acids

Associated Targets(Human)

KCNH2 Tclin HERG (29587 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP3A5 Tclin Cytochrome P450 3A5 (525 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ABCG2 Tchem ATP-binding cassette sub-family G member 2 (4927 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ABCB11 Tchem Bile salt export pump (2311 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLC22A8 Tclin Solute carrier family 22 member 8 (241 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLC47A1 Tchem Multidrug and toxin extrusion protein 1 (147 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLC47A2 Tchem Multidrug and toxin extrusion protein 2 (58 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
POU2F2 Tbio POU domain, class 2, transcription factor 2 (42 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
POU2F1 Tbio POU domain, class 2, transcription factor 1 (93 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Abcb1b P-glycoprotein 1 (174 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Oryctolagus cuniculus (11301 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Slc22a6 Solute carrier family 22 member 6 (141 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CCT2 T-complex protein 1 subunit beta (5007 Activities)
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

Pubchem Sid 504752177
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504752177
IUPAC Name 2,2-dimethylbutanoic acid
INCHI InChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)
InChIKey VUAXHMVRKOTJKP-UHFFFAOYSA-N
Smiles CCC(C)(C)C(=O)O
Isomeric SMILES CCC(C)(C)C(=O)O
WGK Germany 3
UN Number 3265
Molecular Weight 116.16
Beilstein 2335
Reaxy-Rn 1720666
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720666&ln=

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

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

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number Certificate Type Date Item
C1918178 Certificate of Analysis Jan 11, 2023 D102023
F2314183 Certificate of Analysis Jan 11, 2023 D102023
F2314353 Certificate of Analysis Oct 25, 2021 D102023

Chemical and Physical Properties

Solubility Slightly soluble in water
Sensitivity Air sensitive
Refractive Index 1.4154
Flash Point(°F) 174.2 °F
Flash Point(°C) 79 °C
Boil Point(°C) 94-96°C
Melt Point(°C) -14℃
Molecular Weight 116.160 g/mol
XLogP3 1.500
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 116.084 Da
Monoisotopic Mass 116.084 Da
Topological Polar Surface Area 37.300 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 94.700
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

Solution Calculators

Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.

Privacy Policy Website Terms of Use Return policy Terms and Conditions of Sale Cookie Policy Sales Policy
Products are chemical reagents for research use only and are not intended for human use. We do not sell to patients.
Copyright © 2023-present Aladdin Scientific Corp . All rights reserved.