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2-Ethyl-2-methyl-1,3-propanediol - 97%, high purity , CAS No.77-84-9

COA

Grade & Purity:

≥97%

Cas Number: 77-84-9
Molecular Weight: 118.18
Beilstein Registry Number: 1(4)2574
MDL number: MFCD00004693
PubChem CID: 66169

In stock

Item Number

E156430

Grouped product items
SKU	Size	Availability	Price
E156430-1g	1g	3	$50.90
E156430-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$177.90
E156430-25g	25g	1	$615.90

View related series

alcohol (850) Oxygenated compounds (806)

Basic Description

Synonyms	MFCD00004693 \| EINECS 201-062-3 \| 2,2-Bis(hydroxymethyl)butane \| UNII-6TRA28C44U \| AKOS015856364 \| InChI=1/C6H14O2/c1-3-6(2,4-7)5-8/h7-8H,3-5H2,1-2H \| 2-Ethyl-2-methylpropane-1,3-diol \| 6TRA28C44U \| 2-Methyl-2-ethyl-1,3-propanediol \| DTXSID20227813 \| NSC
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Not available
Direct Parent	Primary alcohols
Alternative Parents	Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
External Descriptors	Not available
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

Names and Identifiers

IUPAC Name	2-ethyl-2-methylpropane-1,3-diol
INCHI	InChI=1S/C6H14O2/c1-3-6(2,4-7)5-8/h7-8H,3-5H2,1-2H3
InChIKey	VNAWKNVDKFZFSU-UHFFFAOYSA-N
Smiles	CCC(C)(CO)CO
Isomeric SMILES	CCC(C)(CO)CO
Molecular Weight	118.18
Beilstein	1(4)2574
Reaxy-Rn	1732490
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732490&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.

6 results found

Lot Number	Certificate Type	Date	Item
G2410095	Certificate of Analysis	Mar 18, 2024	E156430
G2410179	Certificate of Analysis	Mar 18, 2024	E156430
G2410180	Certificate of Analysis	Mar 18, 2024	E156430
G2410181	Certificate of Analysis	Mar 18, 2024	E156430
G2410182	Certificate of Analysis	Mar 18, 2024	E156430
G2410183	Certificate of Analysis	Mar 18, 2024	E156430

Chemical and Physical Properties

Boil Point(°C)	226 °C
Melt Point(°C)	43 °C
Molecular Weight	118.170 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	118.099 Da
Monoisotopic Mass	118.099 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	57.500
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

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