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4-tert-Butylbenzyl Alcohol - ≥97.0%(GC), high purity , CAS No.877-65-6

COA

Grade & Purity:

≥97%(GC)

Cas Number: 877-65-6
Molecular Weight: 164.25
Beilstein Registry Number: 6(4)3402
MDL number: MFCD00004662
PubChem CID: 13416
PubChem SID: 488181850

In stock

Item Number

I136751

Grouped product items
SKU	Size	Availability	Price
I136751-1g	1g	2	$10.90
I136751-5g	5g	9	$39.90
I136751-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$71.90
I136751-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$119.90
I136751-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$354.90

View related series

alcohol (850) Non heterocyclic block (8163)

Basic Description

Synonyms	EN300-21330 \| 4-tert-Butylbenzyl alcohol, 98% \| MFCD00004662 \| 4-t-butylbenzylalcohol \| (4-tert-Butylphenyl)methanol # \| 4(t-Butyl)benzylalcohol \| 4-TERT-BUTYLBENZYL ALCOHOL \| EINECS 212-894-1 \| B1761 \| SY032897 \| p-tert-Butylbenzyl alcohol \| InChI=1/C11H
Specifications & Purity	≥97%(GC)
Shipped In	Normal
Product Description	4-tert-Butylbenzyl alcohol forms inclusion complex with β-cyclodextrin and crystal structure of complex has been studied. Selective oxidation of 4-tert-butylbenzyl alcohol by hypochlorite and phase transfer catalyst has been investigated in a membrane reactor 4-tert-Butylbenzyl alcohol was used in preparation of novel copolyimides bearing bulky pendent groups by chemical modification of a copolyimide precursor containing carboxylic acid groups

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	Benzyl alcohols Primary alcohols Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - Benzyl alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - 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

Pubchem Sid	488181850
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181850
IUPAC Name	(4-tert-butylphenyl)methanol
INCHI	InChI=1S/C11H16O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3
InChIKey	FVEINXLJOJPHLH-UHFFFAOYSA-N
Smiles	CC(C)(C)C1=CC=C(C=C1)CO
Isomeric SMILES	CC(C)(C)C1=CC=C(C=C1)CO
WGK Germany	3
Molecular Weight	164.25
Beilstein	6(4)3402
Reaxy-Rn	1860665
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1860665&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
D2315428	Certificate of Analysis	Jan 09, 2025	I136751
K2429137	Certificate of Analysis	Dec 03, 2024	I136751
L2103338	Certificate of Analysis	Sep 20, 2023	I136751
E1705112	Certificate of Analysis	Dec 08, 2022	I136751
G2229145	Certificate of Analysis	Aug 01, 2022	I136751

Chemical and Physical Properties

Refractive Index	1.517
Flash Point(°F)	230 °F
Flash Point(°C)	87°C
Boil Point(°C)	140 °C/20 mmHg
Molecular Weight	164.240 g/mol
XLogP3	2.900
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	126.000
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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