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4-tert-Butylphenylacetylene - 96%, high purity , CAS No.772-38-3

COA

Grade & Purity:

≥96%

Cas Number: 772-38-3
Molecular Weight: 158.24
PubChem CID: 2757302
PubChem SID: 488193063

In stock

Item Number

T189207

Grouped product items
SKU	Size	Availability	Price
T189207-1g	1g	2	$16.90
T189207-5g	5g	2	$64.90
T189207-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$116.90
T189207-25g	25g	2	$226.90
T189207-100g	100g	1	$813.90

Discover 4-tert-Butylphenylacetylene by Aladdin Scientific in 96% for only $16.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1-Ethynyl-4-(2-methyl-2-propanyl)benzene \| FT-0632931 \| Benzene, 1-(1,1-dimethylethyl)-4-ethynyl- \| 4-t-butylphenylacetylene \| EN300-736638 \| PS-8806 \| 4-(TERT-BUTYL)PHENYLACETYLENE \| 4-(tert-butyl)-phenylacetylene \| DTXSID80373825 \| (4-tert-butyl) phenyl
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	4-tert-Butylphenylacetylene can be synthesized from 4-tert-butylstyrene.

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	Aromatic hydrocarbons Acetylides Acetylenes
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - Aromatic hydrocarbon - Acetylide - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - 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	488193063
IUPAC Name	1-tert-butyl-4-ethynylbenzene
INCHI	InChI=1S/C12H14/c1-5-10-6-8-11(9-7-10)12(2,3)4/h1,6-9H,2-4H3
InChIKey	ZSYQVVKVKBVHIL-UHFFFAOYSA-N
Smiles	CC(C)(C)C1=CC=C(C=C1)C#C
Isomeric SMILES	CC(C)(C)C1=CC=C(C=C1)C#C
WGK Germany	3
PubChem CID	2757302
Molecular Weight	158.24

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

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

Analytical Chart:

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13 results found

Lot Number	Certificate Type	Date	Item
L2403144	Certificate of Analysis	Dec 04, 2024	T189207
G2403627	Certificate of Analysis	Apr 22, 2024	T189207
H1823131	Certificate of Analysis	Mar 08, 2024	T189207
D2128029	Certificate of Analysis	Feb 28, 2024	T189207
D2128028	Certificate of Analysis	Feb 23, 2024	T189207
K2222891	Certificate of Analysis	Nov 04, 2022	T189207
K2222776	Certificate of Analysis	Nov 04, 2022	T189207
K2222773	Certificate of Analysis	Nov 04, 2022	T189207
K2222766	Certificate of Analysis	Nov 04, 2022	T189207
K2222930	Certificate of Analysis	Nov 04, 2022	T189207
L2403143	Certificate of Analysis	Nov 04, 2022	T189207
K2222750	Certificate of Analysis	Nov 04, 2022	T189207
K2222928	Certificate of Analysis	Nov 04, 2022	T189207

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Chemical and Physical Properties

Flash Point(°F)	179.6 °F
Flash Point(°C)	82 °C
Boil Point(°C)	70 °C
Molecular Weight	158.240 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	158.11 Da
Monoisotopic Mass	158.11 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	178.000
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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