2-Propylhexanoic Acid Methyl Ester

CAT: 0572-TRC-P837105-500MGSize: 500 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0572-TRC-P837105-500MGSize:500 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

5162-60-7

Synonyms

4-Octanecarboxylic Acid Methyl Ester;

Hazard Statement

Harmful if swallowed.

Smiles

O=C(OC)C(CCC)CCCC

Molecular Formula

C10H20O2

Molecular Weight

172.26

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Hexanoic acid, 2-propyl, methyl ester

CAS Number	5162-60-7
PubChem CID	523412
IUPAC Name	methyl 2-propylhexanoate
Molecular Formula	C10H20O2
Molecular Weight	172.26
XLogP	3.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Heavy Atom Count	12
Formal Charge	0
Complexity	121

SMILES

CCCCC(CCC)C(=O)OC

InChI

InChI=1S/C10H20O2/c1-4-6-8-9(7-5-2)10(11)12-3/h9H,4-8H2,1-3H3

InChIKey

GXHTYYWMPPPKRZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5162-60-7

CID: 523412

Formula: C10H20O2

MW: 172.26

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	172.26
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	172.146329876
Monoisotopic Mass	172.146329876
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	121
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
TRC-P837110-5G	2-Propylhexanoic Acid Ethyl Ester
TRC-P837112-50MG	2-Propylhexanoic Acid Ethyl Ester-d5
TRC-P837100-25MG	2-Propylhexanoic Acid
TRC-P837100-1G	2-Propylhexanoic Acid
TRC-P837100-100MG	2-Propylhexanoic Acid
TRC-O848420-100G	2-Oxobutanoic Acid Methyl Ester
TRC-M257080-2.5G	2-Mercaptopropionic Acid Methyl Ester
TRC-Q765270-250MG	2-Quinoxalinecarboxylic Acid Methyl Ester
TRC-H953560-500MG	2-Hydroxysuccinic Acid Methyl Ester
TRC-D227110-2.5G	2-Decyldodecanoic Acid Methyl Ester

Alternative Products

Catalog	Name
419123-01	2-Propylhexanoic Acid Methyl Ester
419124-01	2-Propylhexanoic Acid Methyl Ester-d3
419121-01	2-Propylhexanoic Acid Ethyl Ester
419122-01	2-Propylhexanoic Acid Ethyl Ester-d5
FB37102-01	2-Benzoylbenzoic acid methyl ester
FM11242-01	2-Methylnicotinic acid methyl ester
419188	2-Tetradecylhexadecanoic Acid Methyl Ester
279560-01	2-Hydroxysuccinic acid methyl ester
260903-01	2-Aminonicotinic acid methyl ester
159737	2-Oxobutanoic Acid Methyl Ester

2-Propylhexanoic Acid Methyl Ester

Chemical Information

Related Products

Alternative Products

Popular Products