27176-87-0 structure, C18H30O3S

2-dodecylbenzenesulfonic acid

CAS No.

27176-87-0

Formula:

C18H30O3S

Basic Info

Formula
C18H30O3S
Molecular Weight
326.494
Exact Mass
326.192
LogP
6.4775
PSA
62.75
Synonyms

Dodecylbenzenesulfonic acid

2-Dodecylbenzenesulfonic acid

Dodecylbenzenesulphonic acid

Laurylbenzenesulfonic acid

DODECYL BENZENE SULFONIC ACID

Dodecylbenzenesulfonic acid (soft type)

linear-Alkylbenzenesulfonic acid

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Properties

Appearance & Physical State
brown or tan solid
Density
1.2
Boiling Point
315ºC
Melting Point
10ºC
Flash Point
85 °F
Refractive Index
n20/D 1.51
Stability
Stable. Hygroscopic. Incompatible with bases, oxidizing agents, metals.
Storage Condition
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.

Safety Info

RTECS
DB6600000
Safety Statements
S16-S26-S36/37/39-S45
WGK Germany
2
Risk Statements
R10; R22; R34
HS Code
3402110000
RIDADR
UN 2584/2924
Hazard Class
8
Packing Group
III
Hazard Codes

MSDS

SDS 1.0
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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-dodecylbenzenesulfonic acid

1.2 Other means of identification

Product number -
Other names DODECYL BENZENE SULFONIC ACID

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Surfactants
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

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/…if 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/…

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

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
2-dodecylbenzenesulfonic acid 2-dodecylbenzenesulfonic acid 27176-87-0 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

Fresh air, rest. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Do NOT induce vomiting. Give one or two glasses of water to drink. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

EYES AND SKIN: A 0.5% to 1% concentration in water caused significant irritation. The technical grade is corrosive and may cause irreversible damage to eyes and skin. INGESTION: Irritation of the mouth, esophagus and stomach. Diarrhea, intestinal distention and occasional vomiting. (USCG, 1999)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Absorption, Distribution and Excretion

Linear alkylbenzenesulfonic acid is absorbed through the gills and body surface of fish (carp), distributed via blood to the various tissues and organs, transported to the hepatopancreas (liver for goldfish and others), and subsequently, via bile, eliminated with the feces. /Linear alkylbenzenesulfonic acid/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

If material is on fire or involved in a fire: Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, carbon dioxide, or dry chemical. Use water spray to knock-down vapors.

5.2 Specific hazards arising from the chemical

Special Hazards of Combustion Products: May give off SO 3 , SO 2 and H 2 S (USCG, 1999)

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Personal protection: chemical protection suit including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Collect leaking liquid in sealable non-metallic containers. Cautiously neutralize remainder with sodium bicarbonate.

6.3 Methods and materials for containment and cleaning up

Water spill: Neutralize with agricultural lime (calcium oxide), crushed limestone (calcium carbonate), or sodium bicarbonate. If dissolved, apply activated carbon at ten times the spilled amount in region of 10 ppm or greater concn. Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Separated from bases and oxidants.Do not store in carbon steel or aluminum. Storage temp: Ambient; Venting: Open.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state brown or tan solid
Colour Light yellow to brown
Odour no data available
Melting point/ freezing point 10ºC
Boiling point or initial boiling point and boiling range 315ºC
Flammability Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit no data available
Flash point 29.44°C
Auto-ignition temperature no data available
Decomposition temperature >204.5°C
pH no data available
Kinematic viscosity no data available
Solubility in water: very good
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure no data available
Density and/or relative density 1.2
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

DODECYLBENZENESULFONIC ACID is corrosive. When heated to decomposition or on contact with strong acids produces highly toxic fumes of oxides of sulfur. The toxicity and hazards of individual alkylbenzene sulfonic acids must be assessed individually [Kirk-Othmer, 3rd ed., Vol. 22, 1978, p. 45].

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

... On contact with acid or acid fumes, they emit highly toxic fumes of SO(x). /Sulfonates/

10.6 Hazardous decomposition products

Poisonous gases may be produced in fire. May give off SO3, SO2, and hydrogen sulfide.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral: 890 mg/kg
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

The biodegradation of linear sodium alkylbenzenesulfonic acid ... by marine bacteria ... was degraded by some (unspecified) species of marine bacteria when it was present as a sole carbon source, but only when massive aeration was employed ... /Linear sodium alkylbenzenesulfonic acid/

12.3 Bioaccumulative potential

no data available

12.4 Mobility in soil

Sesquioxides such as ferric oxide, and aluminum oxide are important in the sorption of linear alkylbenzenesulfonic acid. /Linear alkylbenzenesulfonic acid/

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN2584 IMDG: UN2584 IATA: UN2584

14.2 UN Proper Shipping Name

ADR/RID: ALKYSULPHONIC ACIDS, LIQUID or ARYLSULPHONIC ACIDS, LIQUID with more than 5% free sulphuric acid
IMDG: ALKYSULPHONIC ACIDS, LIQUID or ARYLSULPHONIC ACIDS, LIQUID with more than 5% free sulphuric acid
IATA: ALKYSULPHONIC ACIDS, LIQUID or ARYLSULPHONIC ACIDS, LIQUID with more than 5% free sulphuric acid

14.3 Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
2-dodecylbenzenesulfonic acid 2-dodecylbenzenesulfonic acid 27176-87-0 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 19, 2017
Revision Date Aug 19, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
MSDS
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Name: Dodecylbenzene sulfonic acid 97% mixture of isomers Material Safety Data Sheet
Synonym: Laurylbenzenesulfonic acid
CAS: 27176-87-0
Section 1 - Chemical Product   MSDS Name:Dodecylbenzene sulfonic acid 97% mixture of isomers Material Safety Data Sheet
Synonym:Laurylbenzenesulfonic acid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
27176-87-0 Dodecylbenzenesulfonic acid 97 248-289-4
Hazard Symbols: C
Risk Phrases: 22 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed. Causes burns.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
Causes severe eye burns. May cause irreversible eye injury.
Skin:
Causes severe skin irritation and burns.
Ingestion:
Harmful if swallowed. Causes gastrointestinal irritation with nausea, vomiting and diarrhea. May cause burns to the digestive tract.
Inhalation:
May cause severe irritation of the respiratory tract with sore throat, coughing, shortness of breath and delayed lung edema.
Chronic:
Chronic exposure may cause effects similar to those of acute exposure.

Section 4 - FIRST AID MEASURES
  Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid immediately.
Skin:
In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Get medical aid immediately. Wash clothing before reuse.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use extinguishing media most appropriate for the surrounding fire.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Do not breathe spray or mist.
Storage:
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.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 27176-87-0: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Viscous liquid
Color: brown
Odor: sulfur dioxide odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 315 deg C @ 760 mmHg
Freezing/Melting Point: 10 deg C
Autoignition Temperature: Not available.
Flash Point: > 200 deg C (> 392.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Soluble.
Specific Gravity/Density: 1.2000
Molecular Formula: C18H30O3S
Molecular Weight: 322.00

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases, metals, Corrosive to steel and aluminum..
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 27176-87-0: DB6600000 LD50/LC50:
CAS# 27176-87-0: Oral, rat: LD50 = 650 mg/kg.
Carcinogenicity:
Dodecylbenzenesulfonic acid - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Ecotoxicity:
Fish: Rainbow trout: LC50 = 10.8 mg/L; 96 Hr.; Static conditionsWater flea Daphnia: EC50 = 11-23 mg/L; 48 Hr.; Unspecified

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: ARYLSULPHONIC ACIDS, LIQUID WITH 5% OR LESS FREE S
ULPHURIC ACID
Hazard Class: 8
UN Number: 2586
Packing Group: III
IMO
Shipping Name: ARYLSULPHONIC ACIDS, LIQUID, CONTAINING NOT MORE T
HAN 5% F REE SULPHURIC ACID
Hazard Class: 8
UN Number: 2586
Packing Group: III
RID/ADR
Shipping Name: ARYLSULPHONIC ACID, WITH NOT MORE THAN 5% FREE SUL
PHURIC AC ID
Hazard Class: 8
UN Number: 2586
Packing group: III
USA RQ: CAS# 27176-87-0: 1000 lb final RQ; 454 kg final RQ

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 22 Harmful if swallowed.
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 27176-87-0: No information available.
Canada
CAS# 27176-87-0 is listed on Canada's DSL List.
CAS# 27176-87-0 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 27176-87-0 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
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IR Spectrum IR : liquid film
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