60-01-5 structure, C15H26O6

tributyrin

CAS No.

60-01-5

Formula:

C15H26O6

Basic Info

Tributyrin is a triglyceride naturally present in butter. It is an ester composed of butyric acid and glycerol. Among other things, it is used as an ingredient in making margarine. It is present in butter and can be described as a liquid fat with an acrid taste.
Tributyrin is also used in microbiological laboratories to identify the bacterium Moraxella catarrhalis. ; Tributyrin is a stable and rapidly absorbed prodrug of butyric acid which enhances antiproliferative effects of dihydroxycholecalciferol in human colon cancer cells.

Formula
C15H26O6
Molecular Weight
302.363
Exact Mass
302.173
LogP
2.3849
PSA
78.9
Synonyms

Tributin

glyceryl tributyrate

Butanoic acid, 1,2,3-propanetriyl ester

Tributyroin

1,2,3-Tributyrylglycerol

Butyryl triglyceride

Tributyrinine

Glycerol tributyrate

2,3-di(butanoyloxy)propyl butanoate

glycerol tributanoate

TRIBUTYRIN

Butanoic acid,1,2,3-propanetriyl ester

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Properties

Appearance & Physical State
colourless liquid
Density
1.0335
Boiling Point
305-310ºC
Melting Point
-75ºC
Flash Point
173ºC
Refractive Index
1.448
Stability
Stable. Incompatible with strong oxidizing agents.
Storage Condition
Store at RT.

Safety Info

RTECS
ET7350000
Safety Statements
S24/25
WGK Germany
1
HS Code
2915900090

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 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name tributyrin

1.2 Other means of identification

Product number -
Other names glycerol tributanoate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
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
tributyrin tributyrin 60-01-5 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

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

Absorption, Distribution and Excretion

Tributyrin is absorbed by the intestinal mucosa of the rat and is not absorbed cutaneously in guinea pigs.

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

AEROBIC: Tributyrin is oxidized by activated sludge with a measured oxygen uptake of 300 mg/L in 7 days(1). Activated sludge at a concn of 2,500 mg/L, was exposed to tributyrin using a Warburg constant temperature respirometer; oxygen uptake was used to determine amount of degradation of the tributyrin(1). Nocardia erythropolis, which readily degrades several phthalate esters, has been shown to be twice as active against tributyrin(2).

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

Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

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 colourless liquid
Colour COLORLESS
Odour FRUITY, BUTTERY
Melting point/ freezing point -75°C(lit.)
Boiling point or initial boiling point and boiling range 129-131°C/0.03mmHg(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit Lower flammable limit: 0.5% (by volume) @ 406 deg F (208°C)
Flash point 174°C
Auto-ignition temperature 765 deg F (407°C)
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility SOL IN ACETONE, BENZENE
Partition coefficient n-octanol/water (log value) log Kow = 2.54
Vapour pressure 1.3X10-3 mm Hg at 25°C /Estimated/
Density and/or relative density 1.032g/mLat 20°C(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

Stable under recommended storage conditions.

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 acrid smoke and fumes.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 3.2 g/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

AEROBIC: Tributyrin is oxidized by activated sludge with a measured oxygen uptake of 300 mg/L in 7 days(1). Activated sludge at a concn of 2,500 mg/L, was exposed to tributyrin using a Warburg constant temperature respirometer; oxygen uptake was used to determine amount of degradation of the tributyrin(1). Nocardia erythropolis, which readily degrades several phthalate esters, has been shown to be twice as active against tributyrin(2).

12.3 Bioaccumulative potential

An estimated BCF of 50 was calculated for tributyrin(SRC), using a log Kow of 2.54(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC), provided the compound is not metabolized by the organism(SRP).

12.4 Mobility in soil

The Koc of tributyrin is estimated as 570 (SRC), using a log Kow of 2.54(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that tributyrin is expected to have low 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: 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
tributyrin tributyrin 60-01-5 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 Not 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.
MSDS
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Name: Tributyrin Material Safety Data Sheet
Synonym: Glyceryl tributyrate; Butyryl triglyceride; Butanoic acid, 1,2,3-propanetriyl ester; Butyrin; Glycerol tributyrate
CAS: 60-01-5
Section 1 - Chemical Product   MSDS Name:Tributyrin Material Safety Data Sheet
Synonym:Glyceryl tributyrate; Butyryl triglyceride; Butanoic acid, 1,2,3-propanetriyl ester; Butyrin; Glycerol tributyrate

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
60-01-5 Tributyrin >97 200-451-5
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
Expected to be a low ingestion hazard.
Inhalation:
May cause respiratory tract irritation. Material has a very low vapor pressure and inhalation exposures are not expected unless material is heated or misted.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid breathing spray or mist.
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:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 60-01-5: 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 gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
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: Clear liquid
Color: colorless
Odor: fruity odor - butter-like
pH: Not available.
Vapor Pressure: 0.000382 mm Hg @ 25 deg C
Viscosity: Not available.
Boiling Point: 305 - 310 deg C @ 760 mm Hg
Freezing/Melting Point: -75 deg C
Autoignition Temperature: 407 deg C ( 764.60 deg F)
Flash Point: 173 deg C ( 343.40 deg F)
Explosion Limits, lower: .50 vol%@208C
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: insoluble
Specific Gravity/Density: 1.0335 g/ml
Molecular Formula: C15H26O6
Molecular Weight: 302.36

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 60-01-5: ET7350000 LD50/LC50:
CAS# 60-01-5: Oral, mouse: LD50 = 12800 mg/kg; Oral, rat: LD50 = 3200 mg/kg.
Carcinogenicity:
Tributyrin - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
 

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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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# 60-01-5: No information available.
Canada
CAS# 60-01-5 is listed on Canada's DSL List.
CAS# 60-01-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 60-01-5 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
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Analysis Methods

Normal alkane RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
OV-101
Retention index
1816.
Temperature Control
150.
Method
isothermal
Comments
He; Column length: 30. m; Column diameter: 0.25 mm
Reference
Leol'ko, A.S.Krasnykh, E.L.Levanova, S.L.Kukushkin, I.K.Synthesis and identification of glycerol estersIzv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol.2007, 50, 4, 125-127.
Normal alkane RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
OV-101
Retention index
1815.
Temperature Control
160.
Method
isothermal
Comments
He; Column length: 30. m; Column diameter: 0.25 mm
Reference
Leol'ko, A.S.Krasnykh, E.L.Levanova, S.L.Kukushkin, I.K.Synthesis and identification of glycerol estersIzv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol.2007, 50, 4, 125-127.
Normal alkane RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
OV-101
Retention index
1813.
Temperature Control
170.
Method
isothermal
Comments
He; Column length: 30. m; Column diameter: 0.25 mm
Reference
Leol'ko, A.S.Krasnykh, E.L.Levanova, S.L.Kukushkin, I.K.Synthesis and identification of glycerol estersIzv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol.2007, 50, 4, 125-127.
Normal alkane RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
OV-101
Retention index
1812.
Temperature Control
180.
Method
isothermal
Comments
He; Column length: 30. m; Column diameter: 0.25 mm
Reference
Leol'ko, A.S.Krasnykh, E.L.Levanova, S.L.Kukushkin, I.K.Synthesis and identification of glycerol estersIzv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol.2007, 50, 4, 125-127.

Synthesis Route

Toxicity

ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
3200 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971
ACUTE TOXICITY DATA
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Type of Test
LC - Lethal concentration
Exposure Route
Inhalation
Species Observed
Rodent - rat
Dose/Duration
>75 ppm/6H
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - mouse
Dose/Duration
12800 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971

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