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2，2-Dimethylbutan-1-ol - ≥95%, high purity , CAS No.1185-33-7

COA

Grade & Purity:

≥95%

Cas Number: 1185-33-7
EC Number: 214-681-9
PubChem CID: 14454

In stock

Item Number

D693569

Grouped product items
SKU	Size	Availability	Price	Qty
D693569-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,546.90

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	2,2-dimethylbutan-1-ol
INCHI	InChI=1S/C6H14O/c1-4-6(2,3)5-7/h7H,4-5H2,1-3H3
InChIKey	XRMVWAKMXZNZIL-UHFFFAOYSA-N
Smiles	CCC(C)(C)CO
Isomeric SMILES	CCC(C)(C)CO
Alternate CAS	1185-33-7
PubChem CID	14454
NSC Number	35406

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	102.170 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	102.104 Da
Monoisotopic Mass	102.104 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	48.100
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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