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Home> Encyclopedia >   /  Catalyst and Auxiliary  /  Catalyst and Auxiliary  /  Inorganic Chemicals  /  Inorganic Chemicals  /  Inorganic Chemicals
27176-87-0 structure

Dodecylbenzenesulfonic Acid

Iupac Name:2-dodecylbenzenesulfonic acid
CAS No.:27176-87-0
EINECS(EC#): 248-289-4
Molecular Weight:348.47583
Molecular Formula:C18H29NaO3S (isomer)
2. 3D Conformer
3. Properties
3.1 Appearance
brown or tan solid
3.2 Density
1.2
3.3 Melting Point
10℃
3.4 Boiling Point
315℃
3.5 Refractive Index
n20/D 1.51
3.6 Flash Point
85 °F
3.7 Solubility
soluble in water, alcohols, glycol ethers, glycols, esters, ketones, aromatic and aliphatic hydrocarbons
3.8 Color/Form
White to light yellow flakes, granules, or powder
3.9 Stability
Stable. Hygroscopic. Incompatible with bases, oxidizing agents, metals.
3.9 Stability
3.10 HS Code
3402110000
3.11 Storage temp
Store in a cool, dry place. Keep container closed when not in use. Keep from contact with oxidizing materials. Keep away from metals. Corrosives area. Do not store near alkaline substances.
4. Safety and Handling
4.1 Hazard Codes
C
4.1 Risk Statements
R10;R22;R34
4.2 Safety Statements
S16;S26;S36/37/39;S45
4.3 HazardClass
8
4.3 Safety

Safety Information about?Laurylbenzenesulfonic acid of (CAS NO.27176-87-0):
Hazard Codes:?CorrosiveC
Risk Statements: 34-22-10?
R10: Flammable.?
R22: Harmful if swallowed.?
R34: Causes burns.
Safety Statements: 26-36/37/39-45-16
S16: Keep away from sources of ignition.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.?
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2924 3/PG 3
WGK Germany: 2
RTECS? DB6600000
HazardClass: 8
PackingGroup: III
Moderately toxic by ingestion. A corrosive. When heated to decomposition it emits toxic vapors of SOx.

4.4 Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 650mg/kg (650mg/kg) ? Archives of Toxicology. Vol. 32, Pg. 245, 1974.

4.5 PackingGroup
III
4.6 Skin, Eye, and Respiratory Irritations
May cause skin irritation.
4.7 Cleanup Methods
Land spill: Dig a pit, pond, lagoon, or holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Cover solids with a plastic sheet to prevent dissolving in rain or fire fighting water.
Water spill: If dissolved, apply activated carbon at ten times the spilled amount in region of 10 ppm or greater concentration. Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates.
4.8 Transport
UN 2584/2924
4.9 Fire Fighting Procedures
Extinguish fire with water.
If material on fire or involved in fire: Extingiush fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.)
4.10 Formulations/Preparations
VET: AS WETTING AGENT OR DETERGENT IN INSECTICIDAL DIPS FOR DOGS (0.2-0.5% IN FINAL DILUTION) & WITH SANITIZERS FOR POULTRY DRINKING WATER (30 MG/GAL), WASHING EGGS (150 MG/GAL), & ON PREMISES & EQUIPMENT (300 MG/GAL).
81% PURE, 13% SODIUM SULFATE
Grades of purity: 40% water; varies with manufacturer and use.
ARYLAN SBC
C 550
CONOCO C 550
CONOCO C-50
CONOCO C-60
CONOCO SD 40
DETERLON
ELFAN WA POWDER
F 90
HS 85S
KB
KB (SURFACTANT)
MARANIL
MARLON 375
MARLON A
MARLON A 350
MARLON A 375
MERPISAP AP 90P
NACCONOL 35SL
NANSA HS 80
NANSA HS 85S
NANSA SL
NANSA SS
NEOPELEX 05
PELOPON A
RICHONATE 1850
SANDET 60
SANTOMERSE ME
SINNOZON
SIPONATE DS 10
STEINARYL NKS 50
STEPAN DS 60
SULFRAMIN 1240
SULFRAMIN 85
SULFURIL 50
TREPOLATE F 40
TREPOLATE F 95
ULTRAWET 99LS
ULTRAWET 1T
X 2073
4.11 Reactivities and Incompatibilities
... ON CONTACT WITH ACID OR ACID FUMES, THEY EMIT HIGHLY TOXIC FUMES OF SO(X). /SULFONATES/
4.12 Other Preventative Measures
If material not involved in fire: Keep material out of water sources and sewers. Build dikes to contain flow as necessary.
Personnel protection: Avoid breathing vapors, or dusts. Keep upwind. Wash away any material which may have contacted the body with copious amounts of soap and water.
4.13 Protective Equipment and Clothing
Rubber gloves, safety glasses.
Personnel protection: Wear appropriate chemical boots, protective gloves, and goggles.
4.14 Specification

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use foam, dry chemical, or carbon dioxide.?
Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Do not ingest or inhale. Use only in a chemical fume hood.
Storage: Store in a cool, dry place. Store in a tightly closed container. Corrosives area.

4.15 Octanol/Water Partition Coefficient
log Kow = 0.45
4.16 Report

Reported in EPA TSCA Inventory.

4.17 Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. NMR Spectrum
7. Computational chemical data
  • Molecular Weight:348.47583g/mol
  • Molecular Formula:C18H29NaO3S
  • Exact Mass:348.17351
  • Monoisotopic Mass:348.17351
  • Complexity:365
  • Rotatable Bond Count:12
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:65.6
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
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