2-Butyltoluene

CAT: 0024-sc-504568Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-504568Size:1 g

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CAS Number

1595-11-5

Chemical Information

1-Butyl-2-methylbenzene

CAS Number	1595-11-5
PubChem CID	62410
IUPAC Name	1-butyl-2-methylbenzene
Molecular Formula	C11H16
Molecular Weight	148.24
XLogP	4.6
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	96

SMILES

CCCCC1=CC=CC=C1C

InChI

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

InChIKey

NUJILYKLNKQOOX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1595-11-5

CID: 62410

Formula: C11H16

MW: 148.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.24
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	148.125200510
Monoisotopic Mass	148.125200510
Topological Polar Surface Area	0 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	96.2
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

Catalog	Name
sc-489832	2-tert-Butyltoluene
sc-487459	3-tert-Butyltoluene
sc-238962	4-tert-Butyltoluene
sc-226272	3,5-Di-tert-butyltoluene
sc-209283	2,2,2-Trifluoroethyl 2,5-Bis (2,2,2-trifluoroethoxy) benzoate
sc-209282	2,2,2-Trifluoroethyl 2-Hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
sc-474673	2-[2- (2,2,2-Trifluoroethoxy) phenoxy]-ethanol
sc-343301A	2,2,2-trifluoroethyl 2-fluorophenylcarbamate
sc-320473	2- (2,2,2-trifluoroethoxy) benzaldehyde
sc-343303A	2,2,2-trifluoroethyl 2-methoxyphenylcarbamate

Catalog	Name
TRC-B809550-5G	2-Butyltoluene
OR1077665	2-tert-Butyltoluene
291817-01	4-Tert-butyltoluene
BAA07538-01	3-tert-Butyltoluene
B31000-01	4-tert-Butyltoluene 95%
BAA90765-01	N-Butyltoluene-4-sulfonamide
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
H 038-001	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol