Dodecylbenzenesulphonic acid

• CAS: 27176-87-0
• Catalog Number: ACM27176870
• Category: Main Products
• Molecular Weight: 326.49
• Molecular Formula: C18H30O3S
• 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
• 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
• Active Content: 95%
• 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

Custom Q&A

What is the molecular formula of dodecylbenzenesulphonic acid?

The molecular formula of dodecylbenzenesulphonic acid is C18H30O3S.

What is the molecular weight of dodecylbenzenesulphonic acid?

The molecular weight of dodecylbenzenesulphonic acid is 326.5 g/mol.

Is dodecylbenzenesulphonic acid soluble in water?

Yes, dodecylbenzenesulphonic acid is soluble in water.

What is the role of dodecylbenzenesulphonic acid as listed in ChEBI?

Dodecylbenzenesulphonic acid has a role as an animal metabolite.

What are some synonyms for dodecylbenzenesulphonic acid?

Some synonyms for dodecylbenzenesulphonic acid include 2-DODECYLBENZENESULFONIC ACID, Dodecylbenzenesulphonic acid, and DODECYL BENZENE SULFONIC ACID.

What is the Canonical SMILES representation of dodecylbenzenesulphonic acid?

The Canonical SMILES representation of dodecylbenzenesulphonic acid is CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.

What is the InChIKey of dodecylbenzenesulphonic acid?

The InChIKey of dodecylbenzenesulphonic acid is WBIQQQGBSDOWNP-UHFFFAOYSA-N.

What is the CAS number of dodecylbenzenesulphonic acid?

The CAS number of dodecylbenzenesulphonic acid is 27176-87-0.

How many hydrogen bond donors does dodecylbenzenesulphonic acid have?

Dodecylbenzenesulphonic acid has 1 hydrogen bond donor.

What is the topological polar surface area of dodecylbenzenesulphonic acid?

The topological polar surface area of dodecylbenzenesulphonic acid is 62.8 Ų.