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3,5-Dimethyl-3-hexanol - 98%, high purity , CAS No.4209-91-0

COA

Grade & Purity:

≥98%

Cas Number: 4209-91-0
Molecular Weight: 130.23
Beilstein Registry Number: 1(4)1791
MDL number: MFCD00021823
PubChem CID: 98266

In stock

Item Number

D155898

Grouped product items
SKU	Size	Availability	Price
D155898-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$72.90
D155898-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$130.90
D155898-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$629.90

View related series

alcohol (850) Non heterocyclic block (8163)

Basic Description

Synonyms	NSC 95422 \| 3,5-Dimethyl-3-hexanol \| D1971 \| 3-Hexanol, 3,5-dimethyl- \| DTXSID10871288 \| EINECS 224-136-7 \| AKOS009157077 \| MFCD00021823 \| 3-Hexanol, 3,5-dimethyl-, (.+/-.)- \| SCHEMBL543718 \| INMGJWCKWKKMPN-UHFFFAOYSA-N \| SY048950 \| 3,5-Dimethylhexan-3-ol
Specifications & Purity	≥98%
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	Tertiary alcohols
Alternative Parents	Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Tertiary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
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	3,5-dimethylhexan-3-ol
INCHI	InChI=1S/C8H18O/c1-5-8(4,9)6-7(2)3/h7,9H,5-6H2,1-4H3
InChIKey	INMGJWCKWKKMPN-UHFFFAOYSA-N
Smiles	CCC(C)(CC(C)C)O
Isomeric SMILES	CCC(C)(CC(C)C)O
Molecular Weight	130.23
Beilstein	1(4)1791
Reaxy-Rn	1719265
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719265&ln=

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

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

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
K2427410	Certificate of Analysis	Apr 13, 2024	D155898

Chemical and Physical Properties

Flash Point(°C)	57 °C
Boil Point(°C)	63°C/21.8mmHg
Molecular Weight	130.229 g/mol
XLogP3	2.400
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	78.600
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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