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2-tert-Amylphenol - >98.0%(GC), high purity , CAS No.3279-27-4

COA

Grade & Purity:

≥98%(GC)

Cas Number: 3279-27-4
Molecular Weight: 164.25
Beilstein Registry Number: 6(4)3383
PubChem CID: 76769

In stock

Item Number

T162417

Grouped product items
SKU	Size	Availability	Price	Qty
T162417-1g	1g	1	$9.90
T162417-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$17.90

View related series

Non heterocyclic block (8163) phenol (506)

Basic Description

Synonyms	EINECS 221-916-9 \| Phenol, 2-(1,1-dimethylpropyl)- \| 2-tert-Amylphenol \| 7UC9VC5QI6 \| O-TERT-PENTYLPHENOL \| AS-81257 \| SCHEMBL77491 \| UNII-7UC9VC5QI6 \| 2-(1,1-Dimethylpropyl)phenol \| 2-(1,1-dimethyl-propyl)-phenol \| 2-(Tert-pentyl)phenol \| 2-tert-Pentylph
Specifications & Purity	≥98%(GC)
Storage Temp	Room temperature,Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylpropanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpropanes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanes
Alternative Parents	1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
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-methylbutan-2-yl)phenol
INCHI	InChI=1S/C11H16O/c1-4-11(2,3)9-7-5-6-8-10(9)12/h5-8,12H,4H2,1-3H3
InChIKey	BGRKGHSKCFAPCL-UHFFFAOYSA-N
Smiles	CCC(C)(C)C1=CC=CC=C1O
Isomeric SMILES	CCC(C)(C)C1=CC=CC=C1O
PubChem CID	76769
Molecular Weight	164.25
Beilstein	6(4)3383
Reaxy-Rn	1864028

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.

5 results found

Lot Number	Certificate Type	Date	Item
L2423154	Certificate of Analysis	Dec 18, 2024	T162417
L2423155	Certificate of Analysis	Dec 18, 2024	T162417
L2423301	Certificate of Analysis	Dec 18, 2024	T162417
L2423300	Certificate of Analysis	Dec 18, 2024	T162417
G2429058	Certificate of Analysis	May 22, 2024	T162417

Chemical and Physical Properties

Sensitivity	Air Sensitive
Refractive Index	1.52
Flash Point(°C)	111 °C
Boil Point(°C)	92°C/4mmHg(lit.)
Molecular Weight	164.240 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	164.12 Da
Monoisotopic Mass	164.12 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	140.000
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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