Dodecylbenzenesulphonic acid

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Catalog Number
ACM27176870
Product Name
Dodecylbenzenesulphonic acid
Structure
Structure
CAS
27176-87-0
Category
Main Products
Description
Dodecylbenzenesulfonic acid is a colorless liquid. It is soluble in water. It is corrosive to metals and tissue. It is used to make detergents.;Liquid;YELLOW-TO-BROWN LIQUID.
Synonyms
Dodecylbenzenesulfonic A
IUPAC Name
2-Dodecylbenzenesulfonic acid
Molecular Weight
326.49
Molecular Formula
C18H30O3S
Canonical SMILES
CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O
InChI
WBIQQQGBSDOWNP-UHFFFAOYSA-N
InChI Key
InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)
Boiling Point
82 °C
Melting Point
10 °C
Flash Point
300 °F (USCG, 1999);300 °F open cup;148.9 °C o.c.
Density
1.06g/ml
Solubility
Solubility in water: very good
Appearance
Brown viscous liquid
Color/Form
Light yellow to brown
Complexity
359
Corrosivity
Dodecylbenzenesulfonic acid is corrosive to metals.
Covalently-Bonded Unit Count
1
Decomposition
>204.5 °C
Defined Atom Stereocenter Count
0
EC Number
248-289-4
Exact Mass
326.19156599
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
1
Heavy Atom Count
22
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
1
ICSC Number
1470
Monoisotopic Mass
326.19156599
Physical State
Solid
Rotatable Bond Count
12
Topological Polar Surface Area
62.8 Ų
UNII
QMO4A07H35
UN Number
2584;2586;2584
XLogP3
6.9
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