Chemical Properties of 3(2H)-Isothiazolone, 2-octyl- (CAS 26530-20-1)

InChI

InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3

InChI Key

JPMIIZHYYWMHDT-UHFFFAOYSA-N

Formula

C11H19NOS

SMILES

CCCCCCCCn1sccc1=O

Molecular Weight¹

213.34

CAS

26530-20-1

Other Names

4-Isothiazolin-3-one, 2-octyl-
Kathon LP Preservative
Octyl-4-isothiazol-3-one
Skane M 8
2-n-Octyl-3-isothiazolone
2-n-Octyl-4-isothiazolin-3-one
2-Octyl-3-isothiazolinone
2-Octyl-3-isothiazolone
2-Octyl-3-isothioazolone
2-Octyl-3(2H)-isothiazolone
2-Octyl-4-isothiazolin-3-one
Kathon 893
Kathon sp 70
Micro-Chek 11
Micro-chek 11D
Micro-chek skane
Microbicide M-8
Octhilinone
Octyl-3(2H)-isothiazolone
Pancil
Pancil T
RH-893
Skane 8
Kathon 4200
Kathon 893F
Kathon LM
Vinyzene IT 3000DIDP
2-octyl-2H-isothiazol-3-one

log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
I_np : Non-polar retention indices.
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
log₁₀WS	-3.42		Crippen Calculated Property
logP_oct/wat	3.270		Crippen Calculated Property
McVol	178.590	ml/mol	McGowan Calculated Property
I_np	[1849.00; 1849.00]
I_np	1849.00		NIST
I_np	1849.00		NIST

Similar Compounds

Find more compounds similar to 3(2H)-Isothiazolone, 2-octyl-.

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