2-Methylheptanoic acid

CAT: 0804-HY-W015664-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0804-HY-W015664-01Size:1 g

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Description

2-Methylheptanoic acid is a flavouring ingredient, isolated from honey.

CAS Number

1188-02-9

UNSPSC

12352211

Hazard Statement

H315, H319, H335

Target

Others

Type

Natural Products

Related Pathways

Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/2-methylheptanoic-acid.html

Purity

99.31

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

CCCCCC(C)C(O)=O

Molecular Formula

C8H16O2

Molecular Weight

144.21

Precautions

H315, H319, H335

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

2-Methylheptanoic acid

2-Methylheptanoic acid is a medium-chain fatty acid.

CAS Number	1188-02-9
PubChem CID	14475
IUPAC Name	2-methylheptanoic acid
Molecular Formula	C8H16O2
Molecular Weight	144.21
XLogP	2.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	99

SMILES

CCCCCC(C)C(=O)O

InChI

InChI=1S/C8H16O2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)

InChIKey

NKBWMBRPILTCRD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1188-02-9

CID: 14475

Formula: C8H16O2

MW: 144.21

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	144.21
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	144.115029749
Monoisotopic Mass	144.115029749
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	99.4
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

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Alternative Products

Catalog	Name
GTR19166145-01	2-Methylheptanoic Acid
GBA08038-01	2-Ethyl-2-methylheptanoic acid
MBS392216-01	6-Methylheptanoic Acid
BEA25743-01	2-Amino-4-methylheptanoic acid
OR1068533-01	5-Methylheptanoic acid
AR-H07325-01	7-Bromo-2-methylheptanoic acid
DCA66330-01	3-Methylheptanoic acid
RG-E141466-01	(3R) -3-Methylheptanoic acid

2-Methylheptanoic acid

Chemical Information

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