Isooctyl Palmitate

CAT: 0127-OR1013597Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR1013597Size:1 Each

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

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CAS Number

1341-38-4

MDL Number

MFCD00056275

Purity

98%

Smiles

CCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C

Chemical Information

Isooctyl palmitate

CAS Number	1341-38-4
PubChem CID	14934
IUPAC Name	6-methylheptyl hexadecanoate
Molecular Formula	C24H48O2
Molecular Weight	368.6
XLogP	10.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	21
Heavy Atom Count	26
Formal Charge	0
Complexity	286

SMILES

CCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C

InChI

InChI=1S/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24(25)26-22-19-16-17-20-23(2)3/h23H,4-22H2,1-3H3

InChIKey

CJSPFDQEYQBDNN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1341-38-4

CID: 14934

Formula: C24H48O2

MW: 368.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	368.6
XLogP3	10.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	21
Exact Mass	368.365430770
Monoisotopic Mass	368.365430770
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	286
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
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sc-235409	Isooctyl acrylate
I07865-01	Isooctyl alcohol
sc-475324	Isooctyl Thioglycolate
TRC-M199710-500MG	MCPA Isooctyl Ester
S-2292	Isooctyl alcohol - 1ML
TRC-M203058-250MG	Mecoprop Isooctyl Ester
CS-T-102305	Mono-carboxy-isooctyl Phthalate
454232-01	MCPA Isooctyl Ester discontinued