115-77-5 structure, C5H12O4

Pentaerythritol

CAS No.

115-77-5

Formula:

C5H12O4

Basic Info

Pentaerythritol is an organic compound with the formula C5H12O4. This white, crystalline polyol with the neopentane backbone is a versatile building block for the preparation of many polyfunctionalized compounds such as the explosive pentaerythritol tetranitrate and pentaerythritol tetraacrylate. Derivatives of pentaerythritol are components of alkyd resins, varnishes, polyvinyl chloride stabilizers, tall oil esters, and olefin antioxidants.
Halogen-free pentaerythritol esters are also environmentally friendly alternative to conventional electrical transformer fluids, being both readily biodegradable and non-hazardous in water. They advantageously replace polychlorobiphenyl (PCB), and even silicone-based or fluorinated hydrocarbons, as dielectric fluid in transformers. Their low volatility and high flash point give them an excellent resistance to ignition in case of major electrical failure and transformer rupture.
Pentaerythritol also finds use in pyrotechnics, as it is needed to make 'blue aluminium'.
Pentaerythritol was first synthesized in 1891 by German chemists Bernhard Tollens and his student P. Wigand.

Formula
C5H12O4
Molecular Weight
136.146
Exact Mass
136.074
LogP
-2.058
PSA
80.92
Synonyms

2,2-Bis(hydroxymethyl)-1,3-propanediol

2,2-Bis(hydroxymethyl)propane-1,3-diol

Tetrakis(hydroxymethyl)methane

Neulizer P

Voxtar M 100

Penetek

Pentek

Penta Powder 325

Pentaerythritol (8CI)

NSC 8100

Pentarit

Maxinutril

PET 020

PE 200 (diol)

Pentaerythrotol

P 100

Metab-Auxil

PE 200

P 100 (alcohol)

Monopentek

Tetramethylolmethane

Microlon 93

CP 500G

Charmor PM 15

Auxinutril

Pentarit TS

THME

Charmor PM

Monopentaerythritol

Pentarit T

JLS Penta

Pentarit S

Flammex DPE

Penta-R

PER

Tetra(hydroxymethyl)methane

Charmor PM 40

Hercules P 6

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Properties

Appearance & Physical State
white crystalline solid
Density
1.396
Boiling Point
276ºC (30 mmHg)
Melting Point
257-263ºC
Flash Point
240ºC
Refractive Index
1.548
Water Solubility
1 g/18 mL (15 ºC)
Stability
Stable. Incompatible with strong acids, strong oxidizing agents, acid chlorides, acid anhydrides. Combustible.
Storage Condition
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Vapor Pressure
<1 mm Hg ( 20 °C)

Safety Info

RTECS
RZ2490000
Safety Statements
S24/25
WGK Germany
1
Risk Statements
R33
HS Code
3806900010

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 Pentaerythritol

1.2 Other means of identification

Product number -
Other names 1,3-Propanediol, 2,2-bis(hydroxymethyl)-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Adhesives and sealant chemicals,Flame retardants,Functional fluids (closed systems),Intermediates,Lubricants and lubricant additives,Paint additives and coating additives not described by other categories
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

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

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
Pentaerythritol Pentaerythritol 115-77-5 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.

In case of skin contact

Rinse and then wash skin with water and soap.

In case of eye contact

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

If swallowed

Rinse mouth.

4.2 Most important symptoms/effects, acute and delayed

Non-toxic; no symptoms likely (USCG, 1999)

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

This chemical is a combustible solid. Use dry chemical, carbon dioxide, water spray, or alcohol foam extinguishers ... If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Notify local health and fire officials and pollution control agencies. From a secure, explosion-proof location, use water spray to cool exposed containers. If cooling streams are ineffective (venting sound increases in volume and pitch, tank discolors or the shows any signs of deforming), withdraw immediately to a secure position.

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

Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Remove airborne particles with fine water spray.

6.3 Methods and materials for containment and cleaning up

Spill Handling: Evacuate and restrict persons not wearing protective equipment from area of spill or leak until cleanup is complete. Collect powdered material in the most convenient and safe manner and deposit in sealed containers. Ventilate area after clean-up is complete. It may be necessary to contain and dispose of this chemical as a hazardous waste. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters.

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 strong oxidants and strong acids.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 10 mg/cu m (total).

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 5 mg/cu m (resp).

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 solid
Colour Ditetragonal crystals from dilute hydrochloric acid
Odour Odorless
Melting point/ freezing point 257-263ºC
Boiling point or initial boiling point and boiling range 276ºC (30 mmHg)
Flammability Combustible SolidCombustible.
Lower and upper explosion limit / flammability limit no data available
Flash point 240ºC
Auto-ignition temperature 450°C (USCG, 1999)
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water:1 g/18 mL (15 ºC)
Partition coefficient n-octanol/water (log value) log Kow = -1.69
Vapour pressure <1 mm Hg ( 20 °C)
Density and/or relative density 1.396
Relative vapour density (air = 1): 4.7
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

Flammable from heat or flame or oxidizers.Dust explosion possible if in powder or granular form, mixed with air. If dry, it can be charged electrostatically by swirling, pneumatic transport, pouring, etc.PENTAERYTHRITOL is an alcohol. This compound is incompatible with the following: Organic acids, oxidizers [Note: Explosive compound is formed when a mixture of PE & thiophosphoryl chloride is heated.] (NIOSH, 2016).

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Mixtures with thiophosphoryl chloride react when heated to form a product that ignites and then explodes on contact with air.

10.6 Hazardous decomposition products

When heated to decomposition it emits acrid smoke and irritating fumes.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rabbit oral 18,500 mg/kg bw
  • Inhalation: LC50 Rat inhalation >11 g/cu m (6 hr) (mixture of 88% mono- and 12% dipentaerythritol)
  • 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: EC50; Species: Daphnia magna (Water flea, age 1-3 days); Conditions: freshwater, static; Concentration: 40000 mg/L for 24 hr (95% confidence interval: 35026-45680 mg/L); Effect: intoxication, immobilization /formulation
  • Toxicity to algae: EC50; Species: Selenastrum capricornutum (Algae); Conditions: static; Concentration: >1000 mg/L for 72 hr; Effect: inhibition of growth rate, biomass /99.9% purity
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Pentaerythritol, present at 100 mg/L, reached 13.2% of its theoretical BOD in 25 days using an activated sludge inoculum at 30 mg/L in the Japanese MITI test(1). Aerobic biodegradation test results for pentaerythritol with other biodegradation tests do show varying results: 97% DOC, 14 days, Zahn-Wellens; 0% DOC, 28 days, AFNOR; 9% CO2, Sturm test; 43%DOC Sturm test; OECD 301B, 77% removal; OECD 301 E modified screening test, 30 days, 13-97% DOC; OECD 302, 30 days, activated sludge, 98% degradation(2).

12.3 Bioaccumulative potential

Values for BCF of 0.3-0.6 and 0.2-2.1 were calculated in fish for pentaerythritol(SRC), using carp (Cyprinus carpio) which were exposed 10 and 1 ppm pentaerythritol, respectively, over an 6-week period(1). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

The Koc of pentaerythritol is estimated as 1.5(SRC), using a log Kow of -1.69(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that pentaerythritol is expected to have very high mobility in soil.

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: no data available IMDG: no data available IATA: no data available

14.2 UN Proper Shipping Name

ADR/RID: no data available
IMDG: no data available
IATA: no data available

14.3 Transport hazard class(es)

ADR/RID: no data available IMDG: no data available IATA: no data available

14.4 Packing group, if applicable

ADR/RID: no data available IMDG: no data available IATA: no data available

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
Pentaerythritol Pentaerythritol 115-77-5 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: Pentaerythritol 98% Material Safety Data Sheet
Synonym: Tetrakis(hydroxymethyl)methane; 2,2-Bis-(hydroxymethyl)-1,3-propanediol
CAS: 115-77-5
Section 1 - Chemical Product   MSDS Name:Pentaerythritol 98% Material Safety Data Sheet
Synonym:Tetrakis(hydroxymethyl)methane; 2,2-Bis-(hydroxymethyl)-1,3-propanediol

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
115-77-5 Pentaerythritol, 98% 98% 204-104-9
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
None

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
Remove from exposure and move to fresh air immediately. Get medical aid if cough or other symptoms appear.
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. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 115-77-5: United Kingdom, WEL - TWA: 10 mg/m3 TWA (inhalable dust); 4 mg/m3 (respirable dust) United Kingdom, WEL - STEL: 20 mg/m3 STEL (inhalable dust); 12 mg STEL (respirable dust) United States OSHA: 15 mg/m3 TWA (total dust); 5 mg/m3 TWA (respirable fraction) Belgium - TWA: 10 mg/m3 VLE France - VME: 10 mg/m3 VME Malaysia: 10 mg/m3 TWA Netherlands: 10 mg/m3 MAC (inhalable dust); 5 mg/m3 MAC (respirab dust) Spain: 10 mg/m3 VLA-ED (inhalable fraction); 4 mg/m3 VLA-ED (respirable fraction) Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: white
Odor: Odorless.
pH: Not available.
Vapor Pressure: 1 mm Hg @20C
Viscosity: Not available.
Boiling Point: 276 deg C @ 30.00mm Hg
Freezing/Melting Point: 255 - 259 deg C
Autoignition Temperature: 490 deg C ( 914.00 deg F)
Flash Point: 240 deg C ( 464.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: 1 G/18 ML WATER (15C)
Specific Gravity/Density:
Molecular Formula: C5H12O4
Molecular Weight: 136.15

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents - strong acids - acid chlorides - acid anhydrides - thiophosphoryl chloride.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 115-77-5: RZ2490000 LD50/LC50:
CAS# 115-77-5: Oral, mouse: LD50 = 25500 mg/kg; Oral, mouse: LD50 = 18500 mg/kg; Oral, rabbit: LD50 = 18500 mg/kg; Oral, rabbit: LD50 = 18500 mg/kg; Oral, rat: LD50 = 19500 mg/kg; Oral, rat: LD50 = 18500 mg/kg.
Carcinogenicity:
Pentaerythritol, 98% - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Ecotoxicity:
Fish-toxicity: LC0>5000 mg/l/48H Leusiscus idus Daphnia-toxicity: EC50:38900 mg/l/24H Daphnia magna Algae-toxicity: EC3:16500 mg/l/7D Scenedesmus subspicatus Bacteria-toxicity: EC10:18200 mg/l/18H Pseudomonas putida COD=1230 mg O2/g; ThOD=1300 mg O2/g

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

Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 115-77-5: 1
Canada
CAS# 115-77-5 is listed on Canada's DSL List.
CAS# 115-77-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 115-77-5 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
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Related Compound Information