2,2-Dimethylpentane - ≥99% , CAS No.590-35-2

CAS: 590-35-2 Cat. No.: D106287 Molecular Weight: 100.20 Beilstein Registry Number: 1730757 EC Number: 209-680-5
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
UNII-M82T90QEVX | AKOS015841490 | 2,2-Dimethylpentane, >=99% | MFCD00009404 | Q2813768 | EINECS 209-680-5 | D87693 | InChI=1/C7H16/c1-5-6-7(2,3)4/h5-6H2,1-4H | FT-0609278 | LS-13368 | 1,1,1-Trimethylbutane | 2,2-DIMETHYLPENTANE | 2,2-dimethyl-pentane | DT
Storage
Room temperature
Shipped In
FedEx DG Service
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1ml
D106287-1ml
4
$99.90
5ml
D106287-5ml
1
$436.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships FedEx DG Service 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 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

2,2-Dimethylpentane is a component of the corona discharge of a simulated Titan′s atmosphere.

Specifications

Synonyms
UNII-M82T90QEVX | AKOS015841490 | 2, 2-Dimethylpentane, >=99% | MFCD00009404 | Q2813768 | EINECS 209-680-5 | D87693 | InChI=1/C7H16/c1-5-6-7(2, 3)4/h5-6H2, 1-4H | FT-0609278 | LS-13368 | 1, 1, 1-Trimethylbutane | 2, 2-DIMETHYLPENTANE | 2, 2-dimethyl-pentane | DT
Specifications & Purity
≥99%
Storage
Room temperature
Shipped In
FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥99%
Names and Identifiers
Pubchem Sid504752155
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504752155
Canonical SmilesCCCC(C)(C)C
IUPAC Name2,2-dimethylpentane
InChIKeyCXOWYJMDMMMMJO-UHFFFAOYSA-N
INCHI1S/C7H16/c1-5-6-7(2,3)4/h5-6H2,1-4H3
Isomeric SMILES CCCC(C)(C)C
WGK Germany 3
UN Number 3295
Molecular Weight 100.20
Beilstein 1730757
Reaxy-Rn 1730757
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730757&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.

Look up COA →

📊 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
SuperclassHydrocarbons
ClassSaturated hydrocarbons
SubclassAlkanes
Intermediate Tree Nodes Not available
Direct ParentBranched alkanes
Alternative Parents Not available
Molecular FrameworkAliphatic acyclic compounds
Substituents Branched alkane - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





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.

14 results found

Lot NumberCertificate TypeDateItem
I2203157Certificate of AnalysisMar 11, 2026 D106287
L2505243Certificate of AnalysisNov 28, 2025 D106287
L2505244Certificate of AnalysisNov 28, 2025 D106287
B2218237Certificate of AnalysisAug 07, 2025 D106287
K2401403Certificate of AnalysisOct 23, 2024 D106287
K2401404Certificate of AnalysisOct 23, 2024 D106287
K2401405Certificate of AnalysisOct 23, 2024 D106287
K2109626Certificate of AnalysisAug 02, 2023 D106287
G2109204Certificate of AnalysisApr 14, 2023 D106287
G2109206Certificate of AnalysisApr 14, 2023 D106287
F2116288Certificate of AnalysisMar 14, 2023 D106287
I2203158Certificate of AnalysisJul 30, 2022 D106287
F2009030Certificate of AnalysisApr 22, 2022 D106287
B2218242Certificate of AnalysisJan 11, 2022 D106287

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Chemical and Physical Properties
SolubilityInsoluble in water, soluble in ethanol, ether, acetone, benzene, etc.
Refractive Index1.381-1.383
Flash Point(°F)15.8 °F
Flash Point(°C)-9 °C
Boil Point(°C)79°C
Molecular Weight100.200 g/mol
XLogP33.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass100.125 Da
Monoisotopic Mass100.125 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count7
Formal Charge0
Complexity38.500
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
Citations of This Product
References
1. Qingyu Yu, Hong Sun, Linhua Zhang, Lijie Jiang, Lei Liang, Chaojie Yu, Xiaoru Dong, Bingyan Guo, Yuwei Qiu, Jingwu Li, Hong Zhang, Fanglian Yao, Dunwan Zhu, Junjie Li.  (2023)  A Zwitterionic Hydrogel with Anti-Oxidative and Anti-Inflammatory Properties for the Prevention of Peritoneal Adhesion by Inhibiting Mesothelial-Mesenchymal Transition.  Advanced Healthcare Materials,      [PMID:37669499] [10.1002/adhm.202301696]
2. Ziqi Sun, Meiling Qi.  (2022)  High separation performance of carbon dioxide-based poly(ether-carbonate) copolymer for gas chromatographic analyses.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:36166885] [10.1016/j.chroma.2022.463493]
3. Yuan-Yuan Cui, Huan Yao, Cheng-Xiong Yang, Xiu-Ping Yan.  (2019)  In situ fabrication of microporous organic network coated capillary column for high resolution gas chromatographic separation of hydrocarbons.  ELECTROPHORESIS,      [PMID:30942493] [10.1002/elps.201800540]
4. Lin Fan, Xiu-Ping Yan.  (2012)  Evaluation of isostructural metal–organic frameworks coated capillary columns for the gas chromatographic separation of alkane isomers.  TALANTA,      [PMID:22967647] [10.1016/j.talanta.2012.07.063]
Solution Calculators
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