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Epoxidized soya bean oil structure
Epoxidized soya bean oil structure

Epoxidized soya bean oil

Iupac Name:2,3-bis[8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoyloxy]propyl 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate
CAS No.: 8013-07-8
Molecular Weight:975.399
Modify Date.: 2022-11-25 02:13
Introduction: Soybean Oil Epoxide is frequently used as an additive during poly(vinyl chloride) preparation, displacing harmful phthalates. Soybean Oil Epoxide has also been modified for lubricant formulations with improved oxidative stability and low pour point. View more+
1. Names and Identifiers
1.1 Name
Epoxidized soya bean oil
1.2 Synonyms

1,2,3-Propanetriyl tris(8-{3-[(3-pentyl-2-oxiranyl)methyl]-2-oxiranyl}octanoate) EPOXIDIZED SOY BEAN OIL ACRYLATE EPOXIDIZED SOYBEAN OIL ESBO ESO fattyacid,soybeanoil,epoxidized flexolepo Plastic additive 04 Plastic additive 15 px-800 Soybean oil,epoxidized soybeanoilepoxide

1.3 CAS No.
8013-07-8
1.4 CID
71306824
1.5 EINECS(EC#)
232-391-0
1.6 Molecular Formula
C57H98O12 (isomer)
1.7 Inchi
InChI=1S/C57H98O12/c1-4-7-19-28-43-49(64-43)37-52-46(67-52)31-22-13-10-16-25-34-55(58)61-40-42(63-57(60)36-27-18-12-15-24-33-48-54(69-48)39-51-45(66-51)30-21-9-6-3)41-62-56(59)35-26-17-11-14-23-32-47-53(68-47)38-50-44(65-50)29-20-8-5-2/h42-54H,4-41H2,1-3H3
1.8 InChkey
JJGBFZZXKPWGCW-UHFFFAOYSA-N
1.9 Canonical Smiles
CCCCCC1C(O1)CC2C(O2)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC3C(O3)CC4C(O4)CCCCC)OC(=O)CCCCCCCC5C(O5)CC6C(O6)CCCCC
1.10 Isomers Smiles
CCCCCC1C(O1)CC2C(O2)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC3C(O3)CC4C(O4)CCCCC)OC(=O)CCCCCCCC5C(O5)CC6C(O6)CCCCC
2. Properties
3.1 Density
0.997
3.1 Melting point
0 °C
3.1 Boiling point
Very high (USCG, 1999)
3.1 Refractive index
1.473
3.1 Flash Point
585° F (USCG, 1999)
3.1 Precise Quality
974.70600
3.1 PSA
154.08000
3.1 logP
12.69230
3.1 Appearance
Epoxidized vegetable oils is an odorless pale yellow oily liquid. Floats on water. (USCG, 1999)
3.2 Chemical Properties
Iodine number maximum of 6, oxirane oxygen minimum of 6.0%.
3.3 Water Solubility
Insoluble
3. Use and Manufacturing
4.1 Usage
Soybean Oil Epoxide is frequently used as an additive during poly(vinyl chloride) preparation, displacing harmful phthalates. Soybean Oil Epoxide has also been modified for lubricant formulations with improved oxidative stability and low pour point.
4. Safety and Handling
5.1 Hazard Codes
Xi
5.1 Risk Statements
R43
5.1 Safety Statements
26-36
5.1 Hazard Declaration
H315
5.1 RIDADR
3082
5.1 Caution Statement
P264, P280, P302+P352, P321, P332+P313, P362
5.1 WGK Germany
3
5.1 RTECS
LL1100000
5.1 Report

The systematic name of Epoxidized soya bean oil is Fatty acid, soybean oil, epoxidized. With the CAS registry number 8013-07-8, it is also named as Soybean oil, epoxidized. The product's categories are Catalysts and Additives; Plasticizer; Plastic and Products; Plastic Additives, and the other registry numbers are 11114-05-9; 121853-93-8; 12768-71-7; 193425-83-1; 37260-65-4; 37307-47-4; 37311-19-6; 39378-88-6; 39390-63-1; 51059-88-2; 52440-01-4; 53569-11-2; 55070-15-0; 56090-94-9; 61788-96-3; 9036-74-2. Besides, it is yellowish oily liquid, which is soluble in hydrocarbons, ketones, esters and other organic solvents, slightly soluble in ethanol and insoluble in water. In addition, this chemical is used as plasticizer of PVC.

The other characteristics of Epoxidized soya bean oil can be summarized as: (1)Density: 1.04 g/mL at 25 °C; (2)Refractive index: 1.473; (3)Flash Point: 299 °C; (4)Boiling Point: >150 °C; (5)EINECS: 232-391-0.

When you are using this chemical, please be cautious about it as the following: it may cause sensitization by skin contact. You should wear suitable protective clothing when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 20mL/kg (20mL/kg)   Union Carbide Data Sheet. Vol. 4/17/1970,
rat LD50 oral 22500uL/kg (22.5mL/kg)   Union Carbide Data Sheet. Vol. 4/17/1970,
rat LD50 oral 40gm/kg (40000mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 2, Pg. 229, 1975.

5.2 Safety
Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
5.3 Specification

The systematic name of Epoxidized soya bean oil is Fatty acid, soybean oil, epoxidized. With the CAS registry number 8013-07-8, it is also named as Soybean oil, epoxidized. The product's categories are Catalysts and Additives; Plasticizer; Plastic and Products; Plastic Additives, and the other registry numbers are 11114-05-9; 121853-93-8; 12768-71-7; 193425-83-1; 37260-65-4; 37307-47-4; 37311-19-6; 39378-88-6; 39390-63-1; 51059-88-2; 52440-01-4; 53569-11-2; 55070-15-0; 56090-94-9; 61788-96-3; 9036-74-2. Besides, it is yellowish oily liquid, which is soluble in hydrocarbons, ketones, esters and other organic solvents, slightly soluble in ethanol and insoluble in water. In addition, this chemical is used as plasticizer of PVC.

The other characteristics of Epoxidized soya bean oil can be summarized as: (1)Density: 1.04 g/mL at 25 °C; (2)Refractive index: 1.473; (3)Flash Point: 299 °C; (4)Boiling Point: >150 °C; (5)EINECS: 232-391-0.

When you are using this chemical, please be cautious about it as the following: it may cause sensitization by skin contact. You should wear suitable protective clothing when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 20mL/kg (20mL/kg)   Union Carbide Data Sheet. Vol. 4/17/1970,
rat LD50 oral 22500uL/kg (22.5mL/kg)   Union Carbide Data Sheet. Vol. 4/17/1970,
rat LD50 oral 40gm/kg (40000mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 2, Pg. 229, 1975.

5. MSDS

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

6. Other Information
6.0 Reactive Group
Epoxides
6.1 Reactivity Profile
EPOXIDIZED VEGETABLE OILS may react with acids, bases, and oxidizing and reducing agents. Can polymerize in the presence of catalysts or when heated.
6.2 Production
100,000,000 - 250,000,000 lb
6.3 Manufacturing Info
All other basic organic chemical manufacturing|Soybean oil, epoxidized: ACTIVE
7. Computational chemical data
  • Molecular Weight: 975.399g/mol
  • Molecular Formula: C57H98O12
  • Compound Is Canonicalized: True
  • XLogP3-AA: 14.5
  • Exact Mass: 974.70582856
  • Monoisotopic Mass: 974.70582856
  • Complexity: 1360
  • Rotatable Bond Count: 50
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 12
  • Topological Polar Surface Area: 154
  • Heavy Atom Count: 69
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 12
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADcfB8PAAAAAAAAAAAAAAAEiQAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACBSggAICCAAABAAIAACQCAAAAAAAAAAAAAEAAAABABIAAAACAAAFAAACAAHI6KSAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
8. Question & Answer
  • Epoxidized soya bean oil (Epoxidized soybean oil, ESBO) is a non-toxic clear to yellow liquid which is manufactured from soybean oil through the epoxidation process, which consists of mixed organic compounds. In the United States, there are 1 billion pounds of soybean oil produced annually in exces...
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