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

  • ≥98%
Item Number
D102023
Grouped product items
SKUSizeAvailabilityPrice Qty
D102023-5ml
5ml
In stock
$9.90
D102023-25ml
25ml
In stock
$26.90
D102023-100ml
100ml
In stock
$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
View related series
Carbonyl compound carboxylic acid

Basic Description

SynonymsFT-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 TempArgon charged
Shipped InNormal
Note5ml卖完停产,不再备货

Associated Targets(Human)

CYP1A2 Tchem Cytochrome P450 1A2 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP2D6 Tclin Cytochrome P450 2D6 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP2C8 Tchem Cytochrome P450 2C8 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP2C19 Tchem Cytochrome P450 2C19 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP3A4 Tclin Cytochrome P450 3A4 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP2B6 Tchem Cytochrome P450 2B6 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CBX1 Tbio Chromobox protein homolog 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP2C9 Tchem Cytochrome P450 2C9 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP3A5 Tclin Cytochrome P450 3A5 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GMNN Tbio Geminin (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
POU2F1 Tbio POU domain, class 2, transcription factor 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SLC22A6 Tclin Solute carrier family 22 member 6 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
RORC Tchem Nuclear receptor ROR-gamma (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ABCB1 Tchem Multidrug resistance protein 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SLC47A2 Tchem Multidrug and toxin extrusion protein 2 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SLC47A1 Tchem Multidrug and toxin extrusion protein 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SLC22A8 Tclin Solute carrier family 22 member 8 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
POU2F2 Tbio POU domain, class 2, transcription factor 2 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ABCG2 Tchem ATP-binding cassette sub-family G member 2 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ABCB11 Tchem Bile salt export pump (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CCT2 Tbio T-complex protein 1 subunit beta (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A5 Tclin Cytochrome P450 3A5 (525 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCG2 Tchem ATP-binding cassette sub-family G member 2 (4927 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCB11 Tchem Bile salt export pump (2311 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC22A8 Tclin Solute carrier family 22 member 8 (241 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC47A1 Tchem Multidrug and toxin extrusion protein 1 (147 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC47A2 Tchem Multidrug and toxin extrusion protein 2 (58 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POU2F2 Tbio POU domain, class 2, transcription factor 2 (42 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POU2F1 Tbio POU domain, class 2, transcription factor 1 (93 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Abcb1b P-glycoprotein 1 (174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Oryctolagus cuniculus (11301 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Slc22a6 Solute carrier family 22 member 6 (141 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCT2 T-complex protein 1 subunit beta (5007 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Names and Identifiers

IUPAC Name 2,2-dimethylbutanoic acid
INCHI InChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)
InChi Key VUAXHMVRKOTJKP-UHFFFAOYSA-N
Canonical SMILES CCC(C)(C)C(=O)O
Isomeric SMILES CCC(C)(C)C(=O)O
WGK Germany 3
PubChem CID 11684
UN Number 3265
Molecular Weight 116.16
Beilstein 2335
Reaxy-Rn 1720666

Certificates

Certificate of Analysis(COA)

Enter Lot Number to search for COA:

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

3 results found

Lot NumberCertificate TypeDateItem
C1918178Certificate of AnalysisJan 11, 2023 D102023
F2314183Certificate of AnalysisJan 11, 2023 D102023
F2314353Certificate of AnalysisOct 25, 2021 D102023

Chemical and Physical Properties

SolubilitySlightly soluble in water
SensitivityAir sensitive
Refractive Index1.4154
Flash Point(°F)174.2 °F
Flash Point(°C)79 °C
Boil Point(°C)94-96°C
Melt Point(°C)-14℃

Safety and Hazards(GHS)

Pictogram(s) GHS07
Signal Warning
Hazard Statements

H315:Causes skin irritation

H319:Causes serious eye irritation

H335:May cause respiratory irritation

Precautionary Statements

P261:Avoid breathing dust/fume/gas/mist/vapors/spray.

P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing.

P280:Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352:IF ON SKIN: wash with plenty of water.

P321:Specific treatment (see ... on this label).

P405:Store locked up.

P501:Dispose of contents/container to ...

P264:Wash hands [and …] thoroughly after handling.

P271:Use only outdoors or in a well-ventilated area.

P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P403+P233:Store in a well-ventilated place. Keep container tightly closed.

P362+P364:Take off contaminated clothing and wash it before reuse.

P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes.

P337+P317:If eye irritation persists: Get medical help.

P332+P317:If skin irritation occurs: Get medical help.

P319:Get medical help if you feel unwell.

WGK Germany 3
Reaxy-Rn 1720666

Related Documents

References

1. N Uchiyama,Y Kagami,Y Saito,S Abe,M Ohtawa,S Hata.  (1991-07-01)  Metabolic fate of 2,2-dimethylbutyryl moiety of simvastatin in rats: identification of metabolites by gas chromatography/mass spectrometry..  European journal of drug metabolism and pharmacokinetics,  16  ((3)): (189-196).  [PMID:1814736]
2. Yan-li Tang,Yan-ru Deng,Han-qing Wang.  (2004-05-14)  [Chemical components of essential oils from the herb of Ligularia virgaurea]..  Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica,  28  ((7)): (627-629).  [PMID:15139106]
3. Robert A Parise,Jan H Beumer,Cyrous O Kangani,Julianne L Holleran,Julie L Eiseman,Nicola F Smith,Joseph M Covey,Susan P Perrine,Merrill J Egorin.  (2007-12-25)  Liquid chromatography-mass spectrometric assay for quantitation of the short-chain fatty acid, 2,2-dimethylbutyrate (NSC 741804), in rat plasma..  Journal of chromatography. B, Analytical technologies in the biomedical and life sciences,  862  ((1-2)): (168-174).  [PMID:18155649]
4. Susan P Perrine,William A Wargin,Michael S Boosalis,Wayne J Wallis,Sally Case,Jeffrey R Keefer,Douglas V Faller,William C Welch,Ronald J Berenson.  (2011-03-23)  Evaluation of safety and pharmacokinetics of sodium 2,2 dimethylbutyrate, a novel short chain fatty acid derivative, in a phase 1, double-blind, placebo-controlled, single-dose, and repeat-dose studies in healthy volunteers..  Journal of clinical pharmacology,  51  ((8)): (1186-1194).  [PMID:21422239]
5. Pramod S Terse,Jerry D Johnson,Michael A Hawk,Glenn D Ritchie,Michael J Ryan,Daphne Y Vasconcelos,Denise A Contos,Susan P Perrine,James O Peggins,Joseph E Tomaszewski.  (2011-05-12)  Short-term toxicity study of ST-20 (NSC-741804) by oral gavage in Sprague-Dawley rats..  Toxicologic pathology,  39  ((4)): (614-622).  [PMID:21558467]
6. Suthat Fucharoen,Adlette Inati,Noppadol Siritanaratku,Swee L Thein,William C Wargin,Suzanne Koussa,Ali Taher,Nattawara Chaneim,Michael Boosalis,Ronald Berenson,Susan P Perrine.  (2013-03-28)  A randomized phase I/II trial of HQK-1001, an oral fetal globin gene inducer, in β-thalassaemia intermedia and HbE/β-thalassaemia..  British journal of haematology,  161  ((4)): (587-593).  [PMID:23530969]
7. Abdullah Kutlar,Marvin E Reid,Adlette Inati,Ali T Taher,Miguel R Abboud,Amal El-Beshlawy,George R Buchanan,Hedy Smith,Kenneth I Ataga,Susan P Perrine,Richard G Ghalie.  (2013-07-06)  A dose-escalation phase IIa study of 2,2-dimethylbutyrate (HQK-1001), an oral fetal globin inducer, in sickle cell disease..  American journal of hematology,  88  ((11)): (E255-E260).  [PMID:23828223]
8. James Chun Yip Chan,Dorinda Yan Qin Kioh,Gaik Chin Yap,Bee Wah Lee,Eric Chun Yong Chan.  (2017-02-09)  A novel LCMSMS method for quantitative measurement of short-chain fatty acids in human stool derivatized with.  Journal of pharmaceutical and biomedical analysis,  138  (43-53).  [PMID:28178633]
9. Yukako Okazaki,Tetsuyuki Katayama.  (2018-11-08)  Consumption of non-digestible oligosaccharides elevates colonic alkaline phosphatase activity by up-regulating the expression of IAP-I, with increased mucins and microbial fermentation in rats fed a high-fat diet..  The British journal of nutrition,  121  ((2)): (146-154).  [PMID:30400998]
10. Changcheng Sun,Keke Tang,Jing Wu,Han Xu,Wenfeng Zhang,Tiantian Cao,Yang Zhou,Tian Yu,Anan Li.  (2019-05-31)  Leptin modulates olfactory discrimination and neural activity in the olfactory bulb..  Acta physiologica (Oxford, England),  227  ((2)): (e13319-e13319).  [PMID:31144469]
11. Wen Lie,Eleanor Jing Yi Cheong,Evelyn Mei Ling Goh,Hooi Yan Moy,Annelies Cannaert,Christophe P Stove,Eric Chun Yong Chan.  (2020-11-26)  Diagnosing intake and rationalizing toxicities associated with 5F-MDMB-PINACA and 4F-MDMB-BINACA abuse..  Archives of toxicology,  95  ((2)): (489-508).  [PMID:33236189]
12. Changcheng Sun,Zhaoyang Yin,Ben-Zheng Li,Han Du,Keke Tang,Penglai Liu,Sio Hang Pun,Tim C Lei,Anan Li.  (2021-02-14)  Oxytocin modulates neural processing of mitral/tufted cells in the olfactory bulb..  Acta physiologica (Oxford, England),  231  ((4)): (e13626-e13626).  [PMID:33580583]
13. Abdullah Kutlar,Kenneth Ataga,Marvin Reid,Elliott P Vichinsky,Lynne Neumayr,Loray Blair-Britt,Richard Labotka,Jonathan Glass,Jeffrey R Keefer,William A Wargin,Ronald Berenson,Susan P Perrine.  (2012-08-14)  A phase 1/2 trial of HQK-1001, an oral fetal globin inducer, in sickle cell disease..  American journal of hematology,  87  ((11)): (1017-1021).  [PMID:22887019]
14. Elise Wouters,Lukas Mogler,Annelies Cannaert,Volker Auwärter,Christophe Stove.  (2019-04-26)  Functional evaluation of carboxy metabolites of synthetic cannabinoid receptor agonists featuring scaffolds based on L-valine or L-tert-leucine..  Drug testing and analysis,  11  ((8)): (1183-1191).  [PMID:31021521]
15. Yukako Okazaki,Tetsuyuki Katayama.  (2020-03-21)  The effects of different high-fat (lard, soybean oil, corn oil or olive oil) diets supplemented with fructo-oligosaccharides on colonic alkaline phosphatase activity in rats..  European journal of nutrition,  60  ((1)): (89-99).  [PMID:32193633]
16. Bridgette Wilson,Megan Rossi,Tokuwa Kanno,Gareth C Parkes,Simon Anderson,A James Mason,Peter M Irving,Miranda C Lomer,Kevin Whelan.  (2020-05-21)  β-Galactooligosaccharide in Conjunction With Low FODMAP Diet Improves Irritable Bowel Syndrome Symptoms but Reduces Fecal Bifidobacteria..  The American journal of gastroenterology,  115  ((6)): (906-915).  [PMID:32433273]
17. Brandon C Presley,Marisol S Castaneto,Barry K Logan,Susan A Jansen-Varnum.  (2020-07-28)  Metabolic profiling of synthetic cannabinoid 5F-ADB and identification of metabolites in authentic human blood samples via human liver microsome incubation and ultra-high-performance liquid chromatography/high-resolution mass spectrometry..  Rapid communications in mass spectrometry : RCM,  34  ((22)): (e8908-e8908).  [PMID:32710798]
18. Ruoting Xu,Chuhong Tan,Yan He,Qiheng Wu,Huidi Wang,Jia Yin.  (2020-09-26)  Dysbiosis of Gut Microbiota and Short-Chain Fatty Acids in Encephalitis: A Chinese Pilot Study..  Frontiers in immunology,  11  (1994-1994).  [PMID:32973805]

Solution Calculators