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2,5-Dimethyl-3-hexanol - >97.0%(GC), high purity , CAS No.19550-07-3

COA

Grade & Purity:

≥97%(GC)

Cas Number: 19550-07-3
Molecular Weight: 130.23
Beilstein Registry Number: 1(4)1793
MDL number: MFCD00026452
PubChem CID: 89183

In stock

Item Number

D155907

Grouped product items
SKU	Size	Availability	Price	Qty
D155907-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
D155907-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$29.90

View related series

alcohol (850) Non heterocyclic block (8163)

Basic Description

Synonyms	EINECS 243-152-5 \| MFCD00026452 \| NSC95420 \| NSC-95420 \| FT-0610439 \| SNKTZHPOKPYBPT-UHFFFAOYSA-N \| DTXSID70871300 \| AKOS009158757 \| SB85061 \| D89961 \| 3-Hexanol, 2,5-dimethyl- \| NSC 95420 \| SCHEMBL107498 \| D1969 \| 2,5-Dimethyl-3-hexanol \| AS-77196 \| ?2,5
Specifications & Purity	≥97%(GC)
Shipped In	Normal

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	Secondary alcohols
Alternative Parents	Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Secondary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,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	2,5-dimethylhexan-3-ol
INCHI	InChI=1S/C8H18O/c1-6(2)5-8(9)7(3)4/h6-9H,5H2,1-4H3
InChIKey	SNKTZHPOKPYBPT-UHFFFAOYSA-N
Smiles	CC(C)CC(C(C)C)O
Isomeric SMILES	CC(C)CC(C(C)C)O
Molecular Weight	130.23
Beilstein	1(4)1793
Reaxy-Rn	1733009
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1733009&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.

2 results found

Lot Number	Certificate Type	Date	Item
H2402304	Certificate of Analysis	Apr 15, 2024	D155907
H2402305	Certificate of Analysis	Apr 15, 2024	D155907

Chemical and Physical Properties

Refractive Index	1.42
Flash Point(°C)	59 °C
Boil Point(°C)	65°C/15mmHg
Molecular Weight	130.229 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	130.136 Da
Monoisotopic Mass	130.136 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	67.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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