Benzenesulfonic acid, C10-14-alkyl derivs., sodium salts
Product Information
Molecular Formula
C18H29NaO3S
Molecular Weight
348.5
IUPAC Name
sodium;4-dodecan-3-ylbenzenesulfonate
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.
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.
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
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
11
Exact Mass
348.17351024 g/mol
Monoisotopic Mass
348.17351024 g/mol
Topological Polar Surface Area
65.6Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
370
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
2
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 |
