Products
  • Products
  • Cas lib
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 4   > 4-Aminobenzoic acid

4-Aminobenzoic acid

CAS No.:150-13-0
EINECS(EC#):205-753-0
Molecular Weight:137.14
Molecular Formula:C7H7NO2 (Products with the same molecular formula)
MOL File:150-13-0.mol
Names and Identifiers
Synonyms

p-Aminobenzoic acid, USP Grade 4-Aminobenzoic acid, USP GradePABA H-4-Abz-OH~PABA4-Aminobenzoic acid 4-Aminobenzoic acid = PABA

Inchi
InChI=1/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
InChkey
ALYNCZNDIQEVRV-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1C(=O)O)N
Properties
Appearance
White to off white crystalline powder
Density
1.374
Melting Point
186-189℃
Boiling Point
339.9 °C at 760 mmHg
Vapour
3.45E-05mmHg at 25°C
Refractive Index
1.5795
Flash Point
159.4 °C
Water
4.7 g/L (20℃)
Solubilities
H2O:4.7 g/L (20 oC)
Color/Form
Monoclinic prisms from dilute alcohol
Light buff crystals; white when pure
Yellowish to red crystals or prisms
White or slightly yellow crystals or crystalline powder
Stability
Stable. Incompatible with strong oxidizing agents. Combustible. Sensitive to light and air. May discolour on exposure to light.
HS Code
29224995
Storage temp
2-8°C
Spectral properties
Maximum absorption (water): 266 nm (absorbance of one gram per 100 ml contained in a cell having an absorption path of one cm = 1070); isopropanol: 288 nm (absorbance of one gram per 100 ml contained in a cell having an absorption path of one cm = 137).
MASS: 3477 (NIST/EPA/MSDC Mass Spectral Database, 1990 Version)
IR: 5714 m (Coblentz Society Spectral Collection)
UV: 441 (Sadtler Research Laboratories Spectral Collection)
1H-NMR: 6944 (Sadtler Research Laboratories Spectral Collection)
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36/37/38
Safety Statements
S26;S37/39
Safety

Hazard Codes:?HarmfulXn,Xi
Risk Statements: 22-36/37/38-43
R22: Harmful if swallowed.?
R36/37/38: Irritating to eyes, respiratory system and skin.?
R43: May cause sensitization by skin contact.
Safety Statements: 26-36/37/39
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.
WGK Germany: 3
RTECS: DG1400000
HS Code: 29224995

PackingGroup
Z01
Transport
无资料?
Formulations/Preparations
Sunscreens are available in a variety of dosage forms and formulations. ? Because these formulations frequently change and the manufacturers often are reluctant to reveal specific ingredients in their formulations, a listing of commercially available sunscreens is not included in this monograph.
Technical, National Formulary
Capsules and tablets (as the potassium salt), 500 mg; Packets (as the potassium salt) 2 g; Powder
Topical Cream, Aminobenzoic Acid 4% and Titanium Dioxide 12%, Solar SPF 15 (SPF 15), Doak; Lipstick, Aminobenzoic Acid 5% and Red Pertolatum, RVPaba (SPF 10), Elder; Lotion, Aminobenzoic Acid 5%, Oxybenzone 3%, and Padimate O 5%, PreSun 15 Sunscreen Lotion (with SD alcohol 40 58%; SPF 15), Westwood-Squibb.
Exposure Standards and Regulations
Sunscreen active ingredients. The active ingredient of the product consists of any of the following, within the concentration specified for each ingredient, and the finished product provides a minimum SPF value of not less than 2 as measured by the testing procedures established in subpart D of this part: (a) Aminobenzoic acid (PABA) up to 15 percent.
Reactivities and Incompatibilities
Incompatible with ferric salts and oxidizing agents.
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. Dusts at sufficient concentrations can form explosive mixtures with air.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.?
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Store and handle protected from air.
Storage: Store in a cool, dry place. Do not store in direct sunlight. Store in a tightly closed container. Keep under a nitrogen blanket.

Octanol/Water Partition Coefficient
log Kow = 0.83
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  
FULL JOINT 0_10 view >
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Medichem S.A. 2017
NetSun EU B.V. 2016
Stadex Nederland BV 2016
more >
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 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-aminobenzoic acid

1.2 Other means of identification

Product number -
Other names PABA,Vitamin Bx,Vitamin H1

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 WWW.GuideChem.COM
Address 8F, Block C, No.3 Building, Zijin Plaza, No.701, Gudun Road, Hangzhou, Zhejiang 310030, China
Telephone +86-571-89739798
Fax 86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-571-89739798
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

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H319 Causes serious eye irritation

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.

Response

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

P330 Rinse mouth.

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

P337+P313 If eye irritation persists: Get medical advice/attention.

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
4-aminobenzoic acid 4-aminobenzoic acid 150-13-0 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

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

SYMPTOMS: Large doses by mouth can cause nausea, vomiting, skin rash, methemoglobimemia and possibly toxic hepatitis. ACUTE/CHRONIC HAZARDS: Toxic. Hazardous decomposition products.

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

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Advice for firefighters: Wear self contained breathing apparatus for fire fighting if necessary.

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

Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.

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

Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place. Recommended storage temperature: 2 - 8\u00b0C. Air and light sensitive.

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 to off white crystalline powder
Colour Monoclinic prisms from dilute alcohol
Odour Odorless
Melting point/ freezing point 227\u00b0C(lit.)
Boiling point or initial boiling point and boiling range 142\u00b0C/2mmHg(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 60\u00b0C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH pH (0.5% solution): 3.5
Kinematic viscosity no data available
Solubility In water:4.7 g/L (20 \u00baC)
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 3.45E-05mmHg at 25\u00b0C
Density and/or relative density 1.374g/mLat 25\u00b0C(lit.)
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

Chemical stability: Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

P-AMINOBENZOIC ACID is incompatible with ferric salts and oxidizing agents.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Incompatible materials: Strong oxidizing agents.

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rabbit oral 1830 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

Classification of carcinogenicity: 1) evidence in humans: No adequate data; 2) evidence in animals: Inadequate. Overall summary evaluation of carcinogenic risk to humans is Group 3: The agent is not classifiable as to its carcinogenicity to humans. /From table/

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: 4-Aminobenzoic acid was decomposed by soil microflora using fill and draw operations at 20\u00b0C. Using adapted activated sludge as the inoculum and 14C-labeled 4-aminobenzoic acid as the sole carbon source, 96.2% chemical oxygen demand removal was observed with a rate of 12.5 mg chemical oxygen demand/g dry inoculum/hr. A lag period for degradation of 16 mg/L was observed for wastewater or soil at pH 7.3 and 30\u00b0C. At 100 mg/L of test sample, no inhibition of ammonia oxidation by Nitrosomonas species was observed.

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated in fish for 4-aminobenzoic acid(SRC), using a log Kow of 0.83(1) and a regression-derived equation(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

In a Chernozem soil of pH 7.5, the Koc of 4-aminobenzoic acid was determined to be 19.9(1). Using OECD Guideline 106 and three different soils of pH values of 2.8, 6.7 and 7.1, 4-aminobenzoic acid was found to have respective Koc values of 239, 46 and 55(2). A measured log Koc of 2.5 has been reported for 4-aminobenzoic acid(3) which corresponds to a Koc of 316. According to a classification scheme(4), these Koc values suggests that 4-aminobenzoic acid is expected to have very high to moderate mobility in soil. The pKa values of 4-aminobenzoic acid are 2.38 (acid group)(5) and 4.85 (amino group)(6), indicating that this compound will exist almost entirely in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(7). 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(8,9), 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
4-aminobenzoic acid 4-aminobenzoic acid 150-13-0 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 11, 2017
Revision Date Aug 11, 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:137.13598 [g/mol]
Molecular Formula:C7H7NO2
XLogP3:0.8
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:1
Tautomer Count:3
Exact Mass:137.047678
MonoIsotopic Mass:137.047678
Topological Polar Surface Area:63.3
Heavy Atom Count:10
Formal Charge:0
Complexity:128
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:2
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:2