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Benzenesulfonic acid, C10-14-alkyl derivs., sodium salts

Benzenesulfonic acid, C10-14-alkyl derivs., sodium salts

Inquiry

Molecular Formula:

C18H29NaO3S

Molecular Weight:

348.5

CAS Number:

69669-44-9

Catalog Number:

69669-44-9

Product Information

Molecular Formula:

C18H29NaO3S

Molecular Weight:

348.5

IUPAC Name

sodium;4-dodecan-3-ylbenzenesulfonate

Canonical SMILES

CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H30O3S.Na/c1-3-5-6-7-8-9-10-11-16(4-2)17-12-14-18(15-13-17)22(19,20)21;/h12-16H,3-11H2,1-2H3,(H,19,20,21);/q;+1/p-1

InChI Key

HOXWFOVSCUWIEH-UHFFFAOYSA-M

Purity

95%

Safety Information

Hazards

H302:
Harmful if swallowed.
H315:
Causes skin irritation.
H317:
May cause an allergic skin reaction.
H319:
Causes serious eye irritation.
H335:
May cause respiratory irritation.

Precautionary Statement

P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P333+P313:
If skin irritation or a rash occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

348.17351024 g/mol

Monoisotopic Mass

348.17351024 g/mol

Topological Polar Surface Area

65.6Å²

Heavy Atom Count

Formal Charge

Complexity

370

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
EP-1972667-A1	Ink compositions and printing methods for high readability on various types of substrates	2007-03-22
US-2008229973-A1	Ink compositions and printing methods for high readability on various types of substrates	2007-03-22
EP-1383983-A1	Method of recycling water contaminated oil based drilling fluid	2001-04-24
EP-1383983-B1	Method of recycling water contaminated oil based drilling fluid	2001-04-24
US-2003100452-A1	Method of recycling water contaminated oil based drilling fluid	2001-04-24
US-6977048-B2	Method of recycling water contaminated oil based drilling fluid	2001-04-24
WO-02086280-A1	Method of recycling water contaminated oil based drilling fluid	2001-04-24
US-4021359-A	Detergent builders for washing and cleaning compositions	1973-10-11
US-4152515-A	Builders for detergent compositions	1973-04-06
US-3756966-A	Compositions sulfosuccinate derivatives of carbohydrates as builders for detergent	1971-09-28

Literatures

PMID	Publication Date	Title	Journal
20966043	2011-01-01	Identification of clinically used drugs that activate pregnane X receptors	Drug metabolism and disposition: the biological fate of chemicals

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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