Sodium Caprylate EP Impurity H

CAT: 1299-RM-S150808-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S150808-01Size:10 mg

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CAS Number

110-42-9

Synonyms

Methyl decanoate

Molecular Formula

C11H22O2

Molecular Weight

186.29

Target Alternative Name

Sodium Caprylate

Product Name Synonym

Methyl decanoate

Chemical Information

Methyl Decanoate

Methyl decanoate is a fatty acid methyl ester and a decanoate ester.

CAS Number	110-42-9
PubChem CID	8050
IUPAC Name	methyl decanoate
Molecular Formula	C11H22O2
Molecular Weight	186.29
XLogP	4.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Heavy Atom Count	13
Formal Charge	0
Complexity	121

SMILES

CCCCCCCCCC(=O)OC

InChI

InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3

InChIKey

YRHYCMZPEVDGFQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 110-42-9

CID: 8050

Formula: C11H22O2

MW: 186.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.29
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Exact Mass	186.161979940
Monoisotopic Mass	186.161979940
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	121
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
RM-S150801-01	Sodium Caprylate EP Impurity A
RM-S150804-01	Sodium Caprylate EP Impurity D
RM-S150802-01	Sodium Caprylate EP Impurity B
RM-S150810-01	Sodium Caprylate EP Impurity J
RM-S150806-01	Sodium Caprylate EP Impurity F
RM-S150807-01	Sodium Caprylate EP Impurity G
RM-S150803-01	Sodium Caprylate EP Impurity C
RM-S150809-01	Sodium Caprylate EP Impurity I
RM-V011200-01	Valproic Acid; Sodium Caprylate EP Impurity E
RM-F121210-01	Flucloxacillin Sodium EP Impurity H

Catalog	Name
MBS394666-01	Sodium Caprylate
21121001	Sodium caprylate- (Sodium octanoate)
42215-01	Sodium Caprylate extrapure, 99%
81340-01	Sodium Caprylate NF, 99-101%
50090-01	Sodium Caprylate BP, 99-101%
043755-01	N-Caprylic Acid Sodium Salt (Octanoic Acid Sodium Salt, Sodium Caprylate)
JXC83399-01	Fondaparinux sodium impurity
CS-O-39545	Thiopental sodium - Impurity A
JH917306	Flucloxacillin sodium impurity A
IO63794-01	Olsalazine sodium impurity A