Tert-Pentylbenzene

CAT: 0804-HY-W012589-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0804-HY-W012589-01Size:100 g

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Description

Tert-Pentylbenzene (tert-Amylbenzene), a volatile aromatic hydrocarbon, is a fungal metabolite. tert-Pentylbenzene can be isolated from the saprophytic fungus Memnoniella sp. [1].

CAS Number

2049-95-8

Product Name Alternative

Tert-Amylbenzene

UNSPSC

12352005

Hazard Statement

H226, H317, H411

Target

Endogenous Metabolite

Related Pathways

Metabolic Enzyme/Protease

Field of Research

Others

Purity

98.99

Smiles

CC(C)(CC)C1=CC=CC=C1

Molecular Formula

C11H16

Molecular Weight

148.24

Precautions

H226, H317, H411

References & Citations

[1]de Lima PF, et al. In vivo determination of the volatile metabolites of saprotroph fungi by comprehensive two-dimensional gas chromatography. J Sep Sci. 2015 Jun;38 (11) :1924-32.

Shipping Conditions

Room Temperature

Storage Conditions

Store at room temperature 3 years

Scientific Category

Reference compound2

Clinical Information

No Development Reported

Chemical Information

tert-Amylbenzene

CAS Number	2049-95-8
PubChem CID	16295
IUPAC Name	2-methylbutan-2-ylbenzene
Molecular Formula	C11H16
Molecular Weight	148.24
XLogP	4.7
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	107

SMILES

CCC(C)(C)C1=CC=CC=C1

InChI

InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3

InChIKey

QHTJSSMHBLGUHV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2049-95-8

CID: 16295

Formula: C11H16

MW: 148.24

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	148.24
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	148.125200510
Monoisotopic Mass	148.125200510
Topological Polar Surface Area	0 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	107
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TN9233-01	Tert-Pentylbenzene
P04590-01	Tert-Pentylbenzene 97%
JH918719	1,4-DI-TERT-PENTYLBENZENE
RG-A263740-01	1,3-di-tert-pentylbenzene
TN9794-01	Pentylbenzene
158540	1-Pentylbenzene
P04580-01	N-Pentylbenzene 97%
P04585	Sec-Pentylbenzene 99%
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Tert-Pentylbenzene

Chemical Information

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