319-85-7 structure, C6H6Cl6

β-hexachlorocyclohexane

CAS No.

319-85-7

Formula:

C6H6Cl6

Basic Info

β-hexachlorocyclohexane (β-HCH) is an organochloride which is one of the isomers of hexachlorocyclohexane (HCH). It is a byproduct of the production of the insecticide lindane (γ-HCH). It is typically constitutes 5-14% of technical grade lindane, though it has not been produced or used in the United States for more than 20 years, i.e. since 1985. As of 2009, the Stockholm Convention on Persistent Organic Pollutants classified (α-HCH) and (β-HCH) as Persistent organic pollutants (POPs), due to the chemical's ability to persist in the environment, bioaccumulative, biomagnifying, and long-range transport capacity.
This pesticide was widely used during the 1960s and 1970s, particularly on cotton plants. Although banned as a pesticide more than 30 years ago, traces of beta-HCH can still be found in water and soil. Animal studies show that organochlorine pesticides, including beta-HCH, are neurotoxic, cause oxidative stress, and damage the brain's dopaminergic system. Human studies show that exposure to beta-HCH is linked to Parkinson's and Alzheimer's disease. Beta-HCH was present in elevated levels in some patients as recently as 2009. It was manufactured by exhausting chlorination of benzene and for this reason was called erroneously beta-BHC. This synnonym still persists.
In March 2005, the Italian National Monitoring System on Chemical Residuals in Food of Animal Origin detected levels of the pesticide beta-hexachlorocyclohexane (ß-HCH) that were 20 times higher than the legal limit of 0.003mg/kg in bulk milk from a dairy farm in the Sacco River valley. ß-HCH, a lindane isomer and possible human carcinogen, was subsequently found in milk from several neighboring farms. A study was therefore undertaken to evaluate the extent and risk factors for contamination.

Formula
C6H6Cl6
Molecular Weight
290.83
Exact Mass
287.86
LogP
3.6444
PSA
0
Synonyms

B-BHC

ENT 9,233

betaisomer

Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1α,2β,3α,4β,5α,6β)-

beta-hexachlorocyclohexane

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Properties

Density
1.59g/cm3
Boiling Point
288ºC at 760mmHg
Melting Point
≥300ºC
Flash Point
157.5ºC
Refractive Index
1.533
Storage Condition
APPROX 4ºC

Safety Info

Risk Statements
R11; R23/24/25; R39/23/24/25; R50/53; R40; R25; R21
RIDADR
UN1230 3/PG 2
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 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name β-hexachlorocyclohexane

1.2 Other means of identification

Product number -
Other names betaisomer

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Lindane is used as an insecticide on fruit and vegetable crops, for seed treatment, in forestry, and for livestock and pet treatment. Lindane is no longer produced in the United States (however, it is still formulated in this country), and aerial application of the chemical is prohibited. Lindane is also used topically for the treatment of head and body lice and scabies; it is available in 1 percent preparations as a lotion, cream, or shampoo.
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 3

Acute toxicity - Dermal, Category 4

Carcinogenicity, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H312 Harmful in contact with skin

H351 Suspected of causing cancer

H400 Very toxic to aquatic life

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P273 Avoid release to the environment.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

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

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/…if you feel unwell.

P362+P364 Take off contaminated clothing and wash it before reuse.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P391 Collect spillage.

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
β-hexachlorocyclohexane β-hexachlorocyclohexane 319-85-7 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. Seek medical attention if you feel unwell.

In case of skin contact

Wear protective gloves when administering first aid. Remove contaminated clothes. Rinse and then wash skin with water and soap. Seek medical attention if you feel unwell.

In case of eye contact

Rinse with plenty of water (remove contact lenses if easily possible).

If swallowed

Rinse mouth. Give a slurry of activated charcoal in water to drink, but NOT if convulsions occur. Refer immediately for medical attention.

4.2 Most important symptoms/effects, acute and delayed

ACUTE/CHRONIC HAZARDS: Highly toxic. May cause irritation on contact. Hazardous decomposition products.

Excerpt from ERG Guide 151 [Substances - Toxic (Non-combustible)]: Highly toxic, may be fatal if inhaled, swallowed or absorbed through skin. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. (ERG, 2016)

ACUTE/CHRONIC HAZARDS: Highly toxic carcinogen. May cause irritation on contact. Hazardous decomposition products.

Lindane is a stimulant of the nervous system, causing violent convulsions that are rapid in onset and generally followed by death or recovery within 24 hours. The probable human oral lethal dose is 50-500 mg/kg, or between 1 teaspoon and 1 ounce for a 150-lb (70 kg) person. (EPA, 1998)

ACUTE/CHRONIC HAZARDS: Carcinogen. Toxic. Irritant. Hazardous decomposition product.

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

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Lindane and Related Compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher.

5.2 Specific hazards arising from the chemical

Excerpt from ERG Guide 151 [Substances - Toxic (Non-combustible)]: Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Containers may explode when heated. Runoff may pollute waterways. (ERG, 2016)

Excerpt from ERG Guide 151 [Substances - Toxic (Non-combustible)]: Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Containers may explode when heated. Runoff may pollute waterways. (ERG, 2016)

Excerpt from ERG Guide 151 [Substances - Toxic (Non-combustible)]: Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Containers may explode when heated. Runoff may pollute waterways. (ERG, 2016)

When heated to decomposition, this compound emits toxic fumes of chlorine, hydrochloric acid, and phosgene. (EPA, 1998)

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Some are oxidizers and may ignite combustibles (wood, paper, oil, clothing, etc.). Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. For electric vehicles or equipment, ERG Guide 147 (lithium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. (ERG, 2016)

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: filter respirator for organic gases and particulates adapted to the airborne concentration of the substance, chemical protection suit including self-contained breathing apparatus and protective gloves. Do NOT let this chemical enter the environment. Sweep spilled substance into sealable non-metallic containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

Liquids containing lindane should be absorbed in vermiculite, dry sand, earth, or a similar material. /Lindane/

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

Well closed. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing. Separated from bases, metals and food and feedstuffs.Store in dry place. ... avoid exposure ... to extreme heat, strong alkalis, and powdered metals.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

10 Hr Time-Weighted Avg: 0.5 mg/cu m. (skin).

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 PHYSICAL DESCRIPTION: Slightly musty odor.
Colour Crystals from benzene, alcohol, or xylene
Odour Slight musty odor
Melting point/ freezing point ≥300ºC
Boiling point or initial boiling point and boiling range 288ºC at 760mmHg
Flammability Noncombustible Solid, but may be dissolved in flammable liquids.Not combustible. Liquid formulations containing organic solvents may be flammable. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit no data available
Flash point 157.5ºC
Auto-ignition temperature Not flammable (USCG, 1999)
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility less than 1 mg/mL at 23.89°C
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 0.14 mm Hg at 40°C
Density and/or relative density 1.59g/cm3
Relative vapour density (air = 1): 10
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Considerable stability in acids, unstable in alkaline condition. /from table/

10.3 Possibility of hazardous reactions

Not flammable.DELTA-BHC may be incompatible with strong oxidizing and reducing agents. Incompatible with some amines, nitrides, azo/diazo compounds, with alkali metals, and with epoxides.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Incompatible with alkaline materials.

10.6 Hazardous decomposition products

When heated to decomposition it emits toxic fumes of /hydrogen chloride, HCl, and phosgene/.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 6 g/kg
  • Inhalation: LC50 Rat inhalation 1.56 mg/L
  • 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

CLASSIFICATION: C; possible human carcinogen. BASIS FOR CLASSIFICATION: Increases in benign liver tumors in CF1 mice fed beta-HCH. HUMAN CARCINOGENICITY DATA: Inadequate.

Reproductive toxicity

Limited information is available regarding the reproductive or developmental effects of lindane in humans. The one available study reported increased levels (not statistically significant) of follicle stimulating hormone and decreased levels of testosterone in men occupationally exposed to lindane. It is not known whether these hormonal changes could result in diminished reproductive capability. Animal studies have reported reproductive effects, such as decreased sperm count, increased testicular weight, and disruption of spermatogenesis from oral exposure to lindane. Disrupted ovarian cycling and reduced ovulation rate were reported in female animals exposed to lindane by gavage (experimentally placing the chemical in the stomach). Lindane has not been reported to cause developmental effects, such as birth defects, in animals via oral exposure.

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: LC50 Danio rerio (Zebra danio) 1780 ug/L/24 hr (95% confidence limit: 1320-3590 ug/L); static /formulated product
  • Toxicity to daphnia and other aquatic invertebrates: LC50 Daphnia magna (Water flea) 1.64 mg/L/24 hr (95% confidence limit: 1.15-1.78 mg/L); static
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: beta-Hexachlorocyclohexane is expected to be recalcitrant under aerobic conditions(SRC). No biodegradation of beta-hexachlorocyclohexane was observed in contaminated soil from Hengelo, Netherlands over a 100 day incubation period(1). No biodegradation of beta-hexachlorocyclohexane was observed in contaminated moist soils or slurries over a 40 week incubation period(2) and no biodegradation of beta-hexachlorocyclohexane was observed in hexachlorocyclohexane contaminated moist soils or slurries over a 23 week incubation period(3). Approximately 30 percent biodegradation was observed for beta-hexachlorocyclohexane after 570 days in a field test in Japan using agricultural plots(4). The half-life of beta-hexachlorocyclohexane on cropped and uncropped soils was reported as 184 and 100 days, respectively(5). Pure cultures of Pseudomonas sp, isolated from sugarcane soil, completely biodegraded beta-hexachlorocyclohexane under aerobic conditions in 72 hours(6).

12.3 Bioaccumulative potential

An avg log BCF of 2.8 (BCF = 631) was reported for beta-hexachlorocyclohexane(SRC) in various fish in a flowing water simulator(1). According to a classification scheme(2), this BCF value suggests that bioconcentration in aquatic organisms is high(SRC).

12.4 Mobility in soil

Experimentally determined log Koc values of 3.4-4.1 were reported in 2 oil contaminated soils(1). According to a classification scheme(2), these Koc values suggest that beta-hexachlorocyclohexane is expected to have low mobility in soil(SRC).

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: UN1230 IMDG: UN1230 IATA: UN1230

14.2 UN Proper Shipping Name

ADR/RID: METHANOL
IMDG: METHANOL
IATA: METHANOL

14.3 Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

14.5 Environmental hazards

ADR/RID: yes IMDG: yes IATA: yes

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
β-hexachlorocyclohexane β-hexachlorocyclohexane 319-85-7 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 Listed.
New Zealand Inventory of Chemicals (NZIoC) Not Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Not Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 17, 2017
Revision Date Aug 17, 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.

Spectrum

NMR Spectrum 1H NMR : Predict
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Analysis Methods

Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Packed
Active Phase(℃)
OV-1
Retention index
1694.
Temperature Control
200.
Method
isothermal
Comments
Column length: 2. m
Reference
Dubsky, H.Hána, K.Komárková, M.Rittich, B.Stanoveni residui chlórovanych pesticidu plynovou chromatografiiVet. Med. (Prague)1979, 24, 3, 493-498.
Kovats' RI, non-polar column, custom temperature program
expand collapse
Column Shape
Packed
Active Phase(℃)
SE-30
Retention index
1710.
Temperature Control
Method
custom temperature program
Comments
He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified
Reference
Ramsey, J.D.Lee, T.D.Osselton, M.D.Moffat, A.C.Gas-liquid chromatographic retention indices of 296 non-drug substances on SE-30 or OV-1 likely to be encountered in toxicological analysesJ. Chromatogr.1980, 184, 2, 185-206.
Normal alkane RI, non-polar column, custom temperature program
expand collapse
Column Shape
Capillary
Active Phase(℃)
5 % Phenyl methyl siloxane
Retention index
1761.
Temperature Control
Method
custom temperature program
Comments
30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C(1 min) <sup> </sup>25 0C/min -&gt; 125 0C <sup> </sup>10 0C/min -&gt; 300 0C (10 min)
Reference
Department of Food Safety, Ministry of HealthWelfareAnalytical methods for residual compositional substances of agricultural chemicals, feed aadditives, and veterinary drugs in foods2006, retrieved from http://www.mhlw.go.jp/english/topics/foodsafety/positivelist060228/de/060526-1a.pdf.
Normal alkane RI, non-polar column, custom temperature program
expand collapse
Column Shape
Capillary
Active Phase(℃)
OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.
Retention index
1749.
Temperature Control
Method
custom temperature program
Comments
Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Reference
Waggott, A.Davies, I.W.Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf.
Normal alkane RI, non-polar column, custom temperature program
expand collapse
Column Shape
Other
Active Phase(℃)
Methyl Silicone
Retention index
1710.
Temperature Control
Method
custom temperature program
Comments
Program: not specified
Reference
Ardrey, R.E.Moffat, A.C.Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phaseJ. Chromatogr.1981, 220, 3, 195-252.
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