Products
  • Products
  • Cas lib
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 1   > 1-Cocaine

1-Cocaine

Iupac Name:methyl
(3S,4R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
CAS No.:50-36-2
EINECS(EC#):200-032-7
Molecular Weight:303.39
Molecular Formula:C17H21 N O4 (Products with the same molecular formula)
MOL File:50-36-2.mol
Properties
Appearance
White powder
Density
1.22g/cm3
Boiling Point
395.2°Cat760mmHg
Refractive Index
1.568
Flash Point
192.8°C
Solubilities
Soluble 1 in 30 arachis oil
Greater than 10% in benzene
1 g/600 ml water, 270 ml water @ 80 deg C; 1 g/6.5 ml alcohol; 1 g/0.7 ml chloroform; 1 g/3.5 ml ether; 1 g/12 ml oil turpentine; 1 g/12 ml olive oil; 1 g/30-50 ml liquid petrolatum.
Sol in acetone, ethyl acetate, carbon disulfide
1 in 10 of castor oil; /considered soluble/
1 in 80 to 120 of liquid or soft paraffin; /considered sparingly soluble/<
Color/Form
Colorless to white crystals or white powder
The cocaine alkaloid (freebase) is a colorless, ... transparent, crystalline substance ... /Freebase/
Monoclinic tablets from alcohol
Storage temp
2-8°C
Spectral properties
Index of refraction: 1.5022 @ 98 deg C
Specific rotation -16.3 @ 20 deg C (chloroform, concn= 4%)
MASS: 2-654 (Archives of Mass Spectral Data, John Wiley & Sons, New York)
Intense mass spectral peaks: 82 m/z, 182 m/z, 198 m/z, 303 m/z
Safety and Handling
Hazard Codes
CNS stimulant, a poison. Possession is illegal in U.S.
Risk Statements
23/24/25-43
Safety Statements
S26;S36/37;S36/37/39;S45
HazardClass
6.1(a)
Safety

A human poison by ingestion and possibly other routes. Poison experimentally by ingestion, intraperitoneal, intravenous, subcutaneous, and parenteral routes. Human central nervous system effects by ingestion and possibly other routes: general anesthesia, hallucinations or distorted perceptions, and convulsions. An eye irritant. A widely abused, controlled substance. Abuse leads to habituation or addiction. In medicine, it is used as a local narcotic anesthetic applied topically to mucous membranes. The free base is soluble in fats and thus is used for ointments and oily solutions. For water-soluble applications, the sulfate or hydrochloride is used. When heated to decomposition it emits highly toxic fumes.
Hazard Codes: ToxicT
Risk Statements: 23/24/25-43
 R23/24/25:Toxic by inhalation, in contact with skin and if swallowed. 
R43:May cause sensitization by skin contact.
Safety Statements: 26-36/37-45-36/37/39-22 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37:Wear suitable protective clothing and gloves. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S22:Do not breathe dust.
RIDADR: UN 1648 3/PG 2
WGK Germany: 3
RTECS: YM2800000
HazardClass: 6.1(a)
PackingGroup: II

PackingGroup
II
Skin, Eye, and Respiratory Irritations
An eye irritant.
Transport
UN 1648 3/PG 2
Formulations/Preparations
... Cocaine hydrochloride /is/ the usual cocaine preparation available on the street ... /Cocaine hydrochloride/
Cocaine Hydrochloride Tablets for Topical Solution (USP). Solution tablets containing cocaine hydrochloride.
Brompton's mixture ... is usually prepared as a combination of morphine & cocaine in an alcohol & syrup base ...
Grade: technical, NF.
The cocaine alkaloid (freebase) ... makes a popping or cracking sound when heated (hence the term crack). ... A solution of cocaine hydrochloride can also be heated ... with baking soda added until a solid "rock" is formed ...
... Speedball (heroin and cocaine) ... /From table/
... Liquid lady (alcohol and cocaine) ...
... Combination of phencyclidine (PCP) and cocaine /is/ called "space base".
A paste form of cocaine ... is called "bazooka", "buscuso," or "pasta." It is produced by combining dried coca leaves, alkaline bases, water, kerosene, and sulfuric acid. This paste then is dried and smoked in mixture with tobacco or marijuana.
C; Bernice; Blow; Cadillac or champagne of drugs; Dama blanca; Flake; Gold dust; Green gold; Happy trails; Jam; Lady; Nose candy; Pimp's drug; Rock; Snow; Star-spangled powder; Toot; White girl or lady
Bernies; Burese; "C" Carrie; Cecil; Coke; Corine; Happy dust; Star dust;
Girl; Leaf
Exposure Standards and Regulations
Schedules of controlled substances are established by section 202 of the Controlled Substances Act (21 U.S.C. 812). Schedule II includes cocaine, DEA Code #9041; Drug class: Substances, vegetable origin or chemical synthesis.
Other Preventative Measures
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
Protective Equipment and Clothing
An eye irritant.
Specification

  Cocaine (CAS NO.50-36-2), its Synonyms are "C" Carrie ; (1R,2R,3S,5S)-2-Methoxycarbonyltropan-3-yl benzoate ; 1-Cocaine ; 1-alpha-H,5-alpha-H-Tropane-2-beta-carboxylic acid, 3-beta-hydroxy-, methyl ester, benzoate ; 2-beta-Carbomethoxy-3-beta-benzoxytropane ; 2-beta-Tropanecarboxylic acid, 3-beta-hydroxy-, methyl ester, benzoate (ester) ; 2beta-Carbomethoxy-3beta-benzoxytropane ; 3-(Benzoyloxy)-8-methyl-8-azabicyclo-(3.2.1)octane-2-carboxylic acid methyl ether ; 3-Tropanylbenzoate-2-carboxylic acid methyl ester ; 3beta-Hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylic acid methyl ester benzoate ; 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R-(exo,exo))- ; Benzoylmethylecgonine ; Bernice [Street Name] . It is a crystalline tropane alkaloid that is obtained from the leaves of the coca plant.

Octanol/Water Partition Coefficient
log Kow= 2.30
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.
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 50-36-2 EC: 200-032-7 1-Cocaine ·ECHA C&L Inventory for CAS: CAS: 50-36-2 EC: 200-032-7 1-Cocaine
MSDS

Download/Modify | Technical supported by XiXisys.com. For US version, EU version (23 languages) and more, please refer to xixisys.com/en/sds/search

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 cocaine

1.2 Other means of identification

Product number -
Other names Bernice

1.3 Recommended use of the chemical and restrictions on use

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

1.4 Supplier's details

Company XiXisys.com
Address XiXisys.com
Telephone XiXisys.com
Fax XiXisys.com

1.5 Emergency phone number

Emergency phone number -
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 3

Skin sensitization, Category 1

Acute toxicity - Inhalation, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H311 Toxic in contact with skin

H317 May cause an allergic skin reaction

H331 Toxic if inhaled

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.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P271 Use only outdoors or in a well-ventilated area.

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.

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

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

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

P311 Call a POISON CENTER/doctor/…

Storage

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

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
cocaine cocaine 50-36-2 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

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

no data available

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

Emergency and supportive measures: Maintain an open airway and assist ventilation if necessary. Treat coma, agitation, seizures, hyperthermia, arrhythmias, and hypotension if they occur. benzodiazepines are a good choice for initial management of hypertension and tachycardia associated with agitation.Angina pectoris may be treated with benzodiazepines, aspirin, nitrates, or calcium channel blockers. For acute myocardial infarction, thrombolysis has been recommended but is controversial. Supporting its use is the high prevalence of acute thrombosis, often superimposed on coronary spasm. Against its use are the excellent prognosis for patients with cocaine induced infarction, even without thrombolysis, and concerns about increased risk of bleeding caused by intracranial hemorrhage or aortic dissections. Monitor vital signs and ECF for several hours. Patients with suspected coronary artery spasm should be admitted to a coronary care unit, and because of reports of persistent or recurrent coronary spasm up to several days after initial exposure, consider the sue of an oral calcium antagonist and/or cardiac nitrates for 2-4 weeks after discharge.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

5.2 Specific hazards arising from the chemical

no data available

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

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

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

Cocaine hydrochloride crystals and powder should be stored in well-closed, light-resistant containers; topical solutions of the drug should be stored at 15-30°C. /Cocaine hydrochloride/

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 White powder
Colour Colorless to white crystals or white powder
Odour no data available
Melting point/ freezing point no data available
Boiling point or initial boiling point and boiling range 395.2oC at 760mmHg
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 192.8oC
Auto-ignition temperature no data available
Decomposition temperature no data available
pH Aqueous solutions are alkaline to litmus.
Kinematic viscosity no data available
Solubility no data available
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 1.91X10-7 mm Hg at 25°C
Density and/or relative density 1.22g/cm3
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

Stability of solutions: Aqueous solutions containing cocaine hydrochloride 5% & phenol 0.5% remained clear & colorless for a year at 0 to 4°C, room temperature, & 37°C. A fall in pH from 4.6 to 3.9, 2.7 & 2.1 respectively suggested chemical change. /Cocaine hydrochloride/

10.3 Possibility of hazardous reactions

no data available

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

When heated to decomposition it emits highly toxic fumes.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mouse oral 99 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

PURE CULTURE: Cocaine was biodegraded using an enriched culture containing Pseudomonas fluorescens MBER and Comamonas acidovorans MBLF; metabolic products were identified as ecgonine methyl ester and benzoic acid, ecgonine, and pseudoecgonine(1).

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated in fish for Cocaine(SRC), using a log Kow of 2.30(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

Using an agricultural soil from Correstown, County Dublin Ireland, a Kd in soil of 22 L/kg with a log Koc of 2.78 has been reported(1), corresponding to a Koc of 602(SRC). According to a classification scheme(2), this Koc value suggests that cocaine is expected to have low mobility in soil. The pKa of cocaine is 8.61(3), indicating that this compound will partially exist in the cation form in the environment and cations generally do adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4).

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: UN1648 IMDG: UN1648 IATA: UN1648

14.2 UN Proper Shipping Name

ADR/RID: ACETONITRILE
IMDG: ACETONITRILE
IATA: ACETONITRILE

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: 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
cocaine cocaine 50-36-2 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Not Listed.
China Catalog of Hazardous chemicals 2015 Not 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) Not 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.

Precursor and Product
Computational chemical data

Molecular Weight:303.35294 [g/mol]
Molecular Formula:C17H21NO4
XLogP3:2.3
H-Bond Donor:0
H-Bond Acceptor:5
Rotatable Bond Count:5
Exact Mass:303.147058
MonoIsotopic Mass:303.147058
Topological Polar Surface Area:55.8
Heavy Atom Count:22
Formal Charge:0
Complexity:432
Isotope Atom Count:0
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:6.2
Conformer Sampling RMSD:0.8
CID Conformer Count:23