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Home> Hot Product Listed E   > Ethyl 4-aminobenzoate

Ethyl 4-aminobenzoate

CAS No.:94-09-7
EINECS(EC#):202-303-5
Molecular Weight:165.19
Molecular Formula:C9H11NO2 (Products with the same molecular formula)
MOL File:94-09-7.mol
Names and Identifiers
Synonyms

benzocaine methanol solution H-4-Abz-OEt4-Aminobenzoic acid ethyl esterEthyl 4-aminobenzoate Benzocaine Benzocione Ethyl 4-aminobenzoate,(4-Aminobenzoic acid ethyl ester)

Inchi
InChI=1/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
InChkey
BLFLLBZGZJTVJG-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C1=CC=C(C=C1)N
Properties
Appearance
White crystalline powder
Density
1.17
Melting Point
89-92℃
Boiling Point
172℃ (17 torr)
Refractive Index
1.5502
Flash Point
> 110 C
Solubilities
Insoluble
Color/Form
Rhombohedra from ether
Needles from water
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
HS Code
29224995
Storage temp
0-6°C
Spectral properties
IR: m 6882 (Coblentz Society spectral collection)
UV: 888 (Sadtler Research Laboratories spectral collection)
1H NMR: 1856 (Sadtler Research Laboratories spectral collection)
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36/37/38;R43
Safety Statements
S24;S26;S37/39
Safety

Hazard Codes?IrritantXi
Risk Statements 43-36/37/38
R43:May cause sensitization by skin contact.?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 22-24/25-37/39-26
S22:Do not breathe dust.?
S24/25:Avoid contact with skin and eyes.?
S37/39:Wear suitable gloves and eye/face protection.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.??
WGK Germany 2
RTECS DG2450000
PackingGroup III
HS Code 29224995

PackingGroup
III
Transport
25kgs
Formulations/Preparations
Oral: Lozenges 5 mg Vicks Chloraseptic Children's Sore Throat Lozenges, (Procter & Gamble); 10 mg Cepacol Anesthetic Lozenges (with cetylpyridinium chloride), (Williams JB), S[ec-TThroat Lozenges, (Bristol-Myers); 15 mg Mycinettes, (Pfeiffer).
Otic: Solution: 20% Americaine-Otic (with benzethonium chloride), (Celltech), Otocain, (Abana).
Topical: Aerosol: 20% Hurricaine Spray (with or without disposable extension tube), (Beutlich). Gel: 6.3% Anbesol Regular Strength (with alcohol 70% and phenol), (Wyeth); 7.5% Anbesol Baby, (Wyeth), Orabase Baby (alcohol free), (Colgate), Orajel Baby Regular, (Del); 10% Orajel Baby Nighttime, (Del), Orajel Regular Strength, (Del), Orajel Denture (with eugenol and propylene glycol), (Del), Zilactin-B Medicated Gel with Benzocaine, (Zila); 15% Orabase Gel (with alcohol), (Colgate); 20% Americaine Anesthetic Lubricant (with benzethonium chloride), (Celltech), Anbesol Maximum Strength (with alcohol 60%), (Wyeth), Hurricaine, (Beutlich), Orajel Maximum Strength, (Del), Orajel Mouth-Aid (with benzalkonium chloride povidone propylene glycol and zinc chloride), (Del). Paste: 20% Orabase-B with Benzocaine, (Colgate-Hoyt). Solution: 2.5% Babee Teething Lotion (with alcohol 20% cetalkonium chloride and propylene glycol), (Pfeiffer), 6.3% Anbesol Regular Strength (with alcohol 70% phenol and povidone-iodine yielding 0.04% iodine), (Wyeth); 20% Anbesol Maximum Strength (with alcohol 60%), (Wyeth), Hurricaine, (Beutich), Kank-a (with alcohol 0.5% aspartame benzyl alcohol and propylene glycol), (Blistex), Orajel Mouth-Aid Liquid (with alcohol 70% cetylpyridinium chloride povidone and tartrazine), (Del).
Topical: Aerosol 5% Foille Medicated First Aid (with benzyl alcohol and chloroxylenol 0.1%), (Blistex); 20% Dermoplast (with menthol 0.5% and methylparaben), (Medtech), Solarcaine (with isopropyl alcohol 35% w/w and triclosan 0.13%), (Schering-Plough). Cream: 1% Solarcaine (with trilosan 0.2%), (Schering-Plough); 5% Benzocaine Cream, (CMC, Rugby), Benzocol, (Hauck), Ivarest (with calamine 14% and propylene glycol), (Blistex), Rhulicream (with calamine 3% and camphor 0.3%), (Rhydelle); 6% BiCOZENE (with resorcinol 1.67%), (Novartis). Gel: 20% Americaine Anesthetic Lubricant, (Celltech), Detane, (Del). Lotion: 0.5% Solarcaine (with triclosan 0.2%), (Schering-Plough); 5% Ivarest (with calamine 14% and propylene glycol), (Blistex). Ointment: 2% Chiggerex, (Scherer), 5% Foille Medicated First Aid (with chloroxylenol 0.1%), (Blistex); 10% Anacaine (with boric acid), (Gordon). Solution: 2.1% Chiggertox (with benzyl benzoate 21.4%), (Scherer); 20% Outgro, (MedTech).
Trade Names: Anaesthesin (Ritsert, Germany); Hurricaine (Beutlich, USA)
Exposure Standards and Regulations
External analgesic drug products for over-the-counter human use. Analgesic, anesthetic, and antipruritic active ingredients. The active ingredient of the product consists of any of the following within the specified concentration established for each ingredient: Male genital desensitizers: benzocaine, 3 to 7.5 percent in a water-soluble base.
Specification

1.Allergic reactions occur with ester local anaesthetics (like benzocaine) because of the PABA structure.
2.Benzocaine also is a well-known cause of methemoglobinemia. Because it may be used in topical creams with a concentration as much as 20%, it is not difficult to administer a dose sufficient to cause this problem.
3.Over-application of oral anesthetics such as Anbesol can increase the risk of pulmonary aspiration by relaxing the gag-reflex and allowing regurgitated stomach contents or oral secretions to enter the airway. Applying an oral anesthetic and consuming beverages before going to bed can be particularly hazardous.
4.In Phillip K. Dick's book A Scanner Darkly, one of the main characters attempts to extract pure cocaine out of a bottle of sunburn spray by freezing it, claiming that benzocaine is simply an industry name for cocaine.

Octanol/Water Partition Coefficient
log Kow = 1.86
Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
China System s.r.l. (OR) 2017
more >
MSDS

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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 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name benzocaine

1.2 Other means of identification

Product number -
Other names ORTHESIN

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Adsorbents and absorbents
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

Skin sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H317 May cause an allergic skin reaction

Precautionary statement(s)
Prevention

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

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

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

Response

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

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

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

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

Storage

none

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
benzocaine benzocaine 94-09-7 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

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

... The cases of 2 patients who developed benzocaine-induced methemoglobinemia after the administration of benzocaine as premedication for transesophageal echocardiography /are described/. The use of intravenous methylene blue resolved the cyanosis in both patients.[Sachdeva R et al; Tex Heart Inst J 30 (4): 308-10 (2003)] Full text: PMC307717

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

Benzocaine topical creams and ointments should be stored in tight containers and protected from light; prolonged exposure to temperatures greater than 30\u00b0C should be avoided.

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 crystalline powder
Colour Rhombohedra from ether
Odour no data available
Melting point/ freezing point -3\u00b0C(lit.)
Boiling point or initial boiling point and boiling range 310\u00b0C(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 176\u00b0C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility >24.8 [ug/mL]
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 2.6X10-4 mm Hg at 25\u00b0C /Estimated/
Density and/or relative density 1.17
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 in air.

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

no data available

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • 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

AEROBIC: Benzocaine was classified as biodegradable in a procedure using an acclimated sludge inoculum and a 5 day test period(1).

12.3 Bioaccumulative potential

An estimated BCF of 5 was calculated for benzocaine(SRC), using a log Kow of 1.86(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), provided the compound is not altered physically or chemically once released into the environment.

12.4 Mobility in soil

The Koc of benzocaine is estimated as 250(SRC), using a log Kow of 1.86(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that benzocaine is expected to have moderate mobility in soil. However, aromatic amines are expected to bind strongly to humus or organic matter in soils due to the high reactivity of the aromatic amino group(4,5), suggesting that mobility may be much lower in some soils(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: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.2 UN Proper Shipping Name

ADR/RID: unknown
IMDG: unknown
IATA: unknown

14.3 Transport hazard class(es)

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.4 Packing group, if applicable

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

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
benzocaine benzocaine 94-09-7 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 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 12, 2017
Revision Date Aug 12, 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:165.18914 [g/mol]
Molecular Formula:C9H11NO2
XLogP3:1.9
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:3
Tautomer Count:3
Exact Mass:165.078979
MonoIsotopic Mass:165.078979
Topological Polar Surface Area:52.3
Heavy Atom Count:12
Formal Charge:0
Complexity:151
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:7