DL-a-Tocopherol (CAS 113085-06-6) — formula C29H50O2, molecular weight 430.7; category organic chemicals.
| CAS Number | 113085-06-6 |
|---|---|
| Molecular Formula | C29H50O2 |
| Molecular Weight | 430.7 |
| Melting Point | 2.5-3.5 °C |
| Boiling Point | BP: 200-220 °C at 0.1 mmHg |
| LogP | 10.7 |
| Applications | Uses: The natural form of vitamin E found in green vegetables, grains, and oils, Used in antioxidants and as a vitamin E supplement, [Merck Index] Used as an antioxidant and nutritional additive in animals feeds, [ExPub: EFSA] Permitted for use as an inert ingredient in non-food pesticide products, [EPA], Farming (Feed Additives) [Category: Industry], MEDICATION, All-rac-alpha-tocopherol is mainly used as an antioxidant in fats and oils and in feedingstuffs rich in oils and fats., There are several forms of vitamin E available commercially, including dl-alpha-tocopherol, . These are available as nutritional supplements or in functional and fortified foods., Laboratory chemicals, manufacture of substances, Vitamin E, known for its antioxidant activities, is protective against cardiovascular disease and some forms of cancer and has also demonstrated immune-enhancing effects. It may be of limited benefit in some with asthma and rheumatoid arthritis. It may be helpful in some neurological diseases including Alzheimer's, some eye disorders including cataracts, and diabetes and premenstrual syndrome. It may also help protect skin from ultraviolet irradiation although claims that it reverses skin aging, enhances male fertility and exercise performance are poorly supported. It may help relieve some muscle cramps., Use Classification: EPA Safer Chemical Functional Use Classes -> Preservatives and Antioxidants, Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern, Fragrance Ingredients, Food Additives -> ANTIOXIDANT -> JECFA Functional Classes, Food Additives -> ANTIOXIDANT, NUTRIENT_SUPPLEMENT -> JECFA Functional Classes, Cosmetics -> Antioxidant, Skin conditioning, Industry Uses: Fragrance, Intermediate, Other, Consumer Uses: Other, Fragrance, Household Products: Information on 7 consumer products that contain DL-alpha-Tocopherol in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Personal Care, Methods of Manufacturing: It is synthesised from a mixture of toluene and 2, 3, 5-trimethyl-hydroquinone that reacts with isophytol to all-rac-alpha-tocopherol using iron in the presence of hydrogen chloride gas as catalyst. The reaction mixture obtained is filtered and extracted with aqueous caustic soda. Toluene is removed by evaporation and the residue (all-rac-alpha-tocopherol) is purified by vacuum distillation., It is chemically synthesized by condensing racemic isophytol with trimethyl hydroquinone., Impurities: The main impurities resulting from the synthesis consist of tocopherol-related products (impurity A: all-rac-trans-2, 4, 6, 7-pentamethyl-2-(4, 8, 12-trimethyltridecyl)-2, 3-dihydrobenzofuran-5-ol, impurity B: all-rac-cis-2, impurity C: 4-methoxy-2, 6-trimethyl-5-[(all-RS, E)-3, 7, 11, 15-tetramethylhexadec-2-enyl]phenol, impurity D: (all-RS, all-E)-2, 10, 14, 19, 23, 27, 31-octamethyldotriaconta-12, 18-triene). On average from five batches, they amount to approximately 1.7 %., Formulations, Preparations: DL-ALPHA-TOCOPHERYL SUCCINATE, dl-Apha-tocopheryl succinate is not available as a nutritional supplement. The reason for this is that it does not crystallize well but forms a paste. However, it is available for research purposes., DL-ALPHA-TOCOPHERYL ACETATE, dl-Alpha-tocopheryl acetate is available as a stand-alone supplement and in combination products. Typical doses for supplementation range from 100 to 400 IU daily (as alpha-tocopherol)., U.S. Production: 2023: <75, 000 lb, 2022: <75, 2021: <75, 2020: <75, General Manufacturing Information: All Other Basic Organic Chemical Manufacturing, Plastics Product Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, 2H-1-Benzopyran-6-ol, 4-dihydro-2, 5, 8-tetramethyl-2-(4, 12-trimethyltridecyl)-: ACTIVE, All-rac-alpha-tocopherol has also vitamin E activity, 1 mg of all-rac-alpha-tocopherol is equivalent to 1.10 IU of vitamin E., The 2R-stereoisomers are the only forms of alpha-tocopherol that are maintained in human plasma and tissue. The activity of natural or natural-source alpha-tocopherol (RRR alpha-tocopherol), on an equal weight basis, is at least twice as high as synthetic alpha-tocopherol. This is mainly because half of the stereoisomers of synthetic alpha-tocopherol are not maintained in human plasma and are, therefore, not bioavailable., The active substance is all-rac-alpha-tocopherol (Chemical Abstracts Service (CAS) number 10191-41-0, European Inventory of Existing Commercial chemical substances (EINECS) number 233--466-0, chemical formula C29H50O2) consisting of eight stereoisomers (RRR, RRS, RSS, RSR, SRR, SSR, SRS and SSS) in equal quantities. |
| Category | Organic Chemicals |
Documented applications: Uses: The natural form of vitamin E found in green vegetables, grains, and oils, Used in antioxidants and as a vitamin E supplement, [Merck Index] Used as an antioxidant and nutritional additive in animals feeds, [ExPub: EFSA] Permitted for use as an inert ingredient in non-food pesticide products, [EPA], Farming (Feed Additives) [Category: Industry], MEDICATION, All-rac-alpha-tocopherol is mainly used as an antioxidant in fats and oils and in feedingstuffs rich in oils and fats., There are several forms of vitamin E available commercially, including dl-alpha-tocopherol, . These are available as nutritional supplements or in functional and fortified foods., Laboratory chemicals, manufacture of substances, Vitamin E, known for its antioxidant activities, is protective against cardiovascular disease and some forms of cancer and has also demonstrated immune-enhancing effects. It may be of limited benefit in some with asthma and rheumatoid arthritis. It may be helpful in some neurological diseases including Alzheimer's, some eye disorders including cataracts, and diabetes and premenstrual syndrome. It may also help protect skin from ultraviolet irradiation although claims that it reverses skin aging, enhances male fertility and exercise performance are poorly supported. It may help relieve some muscle cramps., Use Classification: EPA Safer Chemical Functional Use Classes -> Preservatives and Antioxidants, Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern, Fragrance Ingredients, Food Additives -> ANTIOXIDANT -> JECFA Functional Classes, Food Additives -> ANTIOXIDANT, NUTRIENT_SUPPLEMENT -> JECFA Functional Classes, Cosmetics -> Antioxidant, Skin conditioning, Industry Uses: Fragrance, Intermediate, Other, Consumer Uses: Other, Fragrance, Household Products: Information on 7 consumer products that contain DL-alpha-Tocopherol in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Personal Care, Methods of Manufacturing: It is synthesised from a mixture of toluene and 2, 3, 5-trimethyl-hydroquinone that reacts with isophytol to all-rac-alpha-tocopherol using iron in the presence of hydrogen chloride gas as catalyst. The reaction mixture obtained is filtered and extracted with aqueous caustic soda. Toluene is removed by evaporation and the residue (all-rac-alpha-tocopherol) is purified by vacuum distillation., It is chemically synthesized by condensing racemic isophytol with trimethyl hydroquinone., Impurities: The main impurities resulting from the synthesis consist of tocopherol-related products (impurity A: all-rac-trans-2, 4, 6, 7-pentamethyl-2-(4, 8, 12-trimethyltridecyl)-2, 3-dihydrobenzofuran-5-ol, impurity B: all-rac-cis-2, impurity C: 4-methoxy-2, 6-trimethyl-5-[(all-RS, E)-3, 7, 11, 15-tetramethylhexadec-2-enyl]phenol, impurity D: (all-RS, all-E)-2, 10, 14, 19, 23, 27, 31-octamethyldotriaconta-12, 18-triene). On average from five batches, they amount to approximately 1.7 %., Formulations, Preparations: DL-ALPHA-TOCOPHERYL SUCCINATE, dl-Apha-tocopheryl succinate is not available as a nutritional supplement. The reason for this is that it does not crystallize well but forms a paste. However, it is available for research purposes., DL-ALPHA-TOCOPHERYL ACETATE, dl-Alpha-tocopheryl acetate is available as a stand-alone supplement and in combination products. Typical doses for supplementation range from 100 to 400 IU daily (as alpha-tocopherol)., U.S. Production: 2023: <75, 000 lb, 2022: <75, 2021: <75, 2020: <75, General Manufacturing Information: All Other Basic Organic Chemical Manufacturing, Plastics Product Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, 2H-1-Benzopyran-6-ol, 4-dihydro-2, 5, 8-tetramethyl-2-(4, 12-trimethyltridecyl)-: ACTIVE, All-rac-alpha-tocopherol has also vitamin E activity, 1 mg of all-rac-alpha-tocopherol is equivalent to 1.10 IU of vitamin E., The 2R-stereoisomers are the only forms of alpha-tocopherol that are maintained in human plasma and tissue. The activity of natural or natural-source alpha-tocopherol (RRR alpha-tocopherol), on an equal weight basis, is at least twice as high as synthetic alpha-tocopherol. This is mainly because half of the stereoisomers of synthetic alpha-tocopherol are not maintained in human plasma and are, therefore, not bioavailable., The active substance is all-rac-alpha-tocopherol (Chemical Abstracts Service (CAS) number 10191-41-0, European Inventory of Existing Commercial chemical substances (EINECS) number 233--466-0, chemical formula C29H50O2) consisting of eight stereoisomers (RRR, RRS, RSS, RSR, SRR, SSR, SRS and SSS) in equal quantities..
DL-a-Tocopherol is a carbon-based organic compound with CAS registry number 113085-06-6 and molecular formula C29H50O2 (molecular weight 430.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 113085-06-6
Its molecular formula C29H50O2 comprises 29 C, 50 H, 2 O atoms.
Also known as: DL-a-Tocopherol · DL-α-生育酚
Category: organic chemicals
The CAS registry number of DL-a-Tocopherol is 113085-06-6.
Molecular formula C29H50O2, molecular weight 430.7.
It is also registered under: DL-a-Tocopherol, DL-α-生育酚.
Recorded applications: Uses: The natural form of vitamin E found in green vegetables, grains, and oils, Used in antioxidants and as a vitamin E supplement, [Merck Index] Used as an antioxidant and nutritional additive in animals feeds, [ExPub: EFSA] Permitted for use as an inert ingredient in non-food pesticide products, [EPA], Farming (Feed Additives) [Category: Industry], MEDICATION, All-rac-alpha-tocopherol is mainly used as an antioxidant in fats and oils and in feedingstuffs rich in oils and fats., There are several forms of vitamin E available commercially, including dl-alpha-tocopherol, . These are available as nutritional supplements or in functional and fortified foods., Laboratory chemicals, manufacture of substances, Vitamin E, known for its antioxidant activities, is protective against cardiovascular disease and some forms of cancer and has also demonstrated immune-enhancing effects. It may be of limited benefit in some with asthma and rheumatoid arthritis. It may be helpful in some neurological diseases including Alzheimer's, some eye disorders including cataracts, and diabetes and premenstrual syndrome. It may also help protect skin from ultraviolet irradiation although claims that it reverses skin aging, enhances male fertility and exercise performance are poorly supported. It may help relieve some muscle cramps., Use Classification: EPA Safer Chemical Functional Use Classes -> Preservatives and Antioxidants, Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern, Fragrance Ingredients, Food Additives -> ANTIOXIDANT -> JECFA Functional Classes, Food Additives -> ANTIOXIDANT, NUTRIENT_SUPPLEMENT -> JECFA Functional Classes, Cosmetics -> Antioxidant, Skin conditioning, Industry Uses: Fragrance, Intermediate, Other, Consumer Uses: Other, Fragrance, Household Products: Information on 7 consumer products that contain DL-alpha-Tocopherol in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Personal Care, Methods of Manufacturing: It is synthesised from a mixture of toluene and 2, 3, 5-trimethyl-hydroquinone that reacts with isophytol to all-rac-alpha-tocopherol using iron in the presence of hydrogen chloride gas as catalyst. The reaction mixture obtained is filtered and extracted with aqueous caustic soda. Toluene is removed by evaporation and the residue (all-rac-alpha-tocopherol) is purified by vacuum distillation., It is chemically synthesized by condensing racemic isophytol with trimethyl hydroquinone., Impurities: The main impurities resulting from the synthesis consist of tocopherol-related products (impurity A: all-rac-trans-2, 4, 6, 7-pentamethyl-2-(4, 8, 12-trimethyltridecyl)-2, 3-dihydrobenzofuran-5-ol, impurity B: all-rac-cis-2, impurity C: 4-methoxy-2, 6-trimethyl-5-[(all-RS, E)-3, 7, 11, 15-tetramethylhexadec-2-enyl]phenol, impurity D: (all-RS, all-E)-2, 10, 14, 19, 23, 27, 31-octamethyldotriaconta-12, 18-triene). On average from five batches, they amount to approximately 1.7 %., Formulations, Preparations: DL-ALPHA-TOCOPHERYL SUCCINATE, dl-Apha-tocopheryl succinate is not available as a nutritional supplement. The reason for this is that it does not crystallize well but forms a paste. However, it is available for research purposes., DL-ALPHA-TOCOPHERYL ACETATE, dl-Alpha-tocopheryl acetate is available as a stand-alone supplement and in combination products. Typical doses for supplementation range from 100 to 400 IU daily (as alpha-tocopherol)., U.S. Production: 2023: <75, 000 lb, 2022: <75, 2021: <75, 2020: <75, General Manufacturing Information: All Other Basic Organic Chemical Manufacturing, Plastics Product Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, 2H-1-Benzopyran-6-ol, 4-dihydro-2, 5, 8-tetramethyl-2-(4, 12-trimethyltridecyl)-: ACTIVE, All-rac-alpha-tocopherol has also vitamin E activity, 1 mg of all-rac-alpha-tocopherol is equivalent to 1.10 IU of vitamin E., The 2R-stereoisomers are the only forms of alpha-tocopherol that are maintained in human plasma and tissue. The activity of natural or natural-source alpha-tocopherol (RRR alpha-tocopherol), on an equal weight basis, is at least twice as high as synthetic alpha-tocopherol. This is mainly because half of the stereoisomers of synthetic alpha-tocopherol are not maintained in human plasma and are, therefore, not bioavailable., The active substance is all-rac-alpha-tocopherol (Chemical Abstracts Service (CAS) number 10191-41-0, European Inventory of Existing Commercial chemical substances (EINECS) number 233--466-0, chemical formula C29H50O2) consisting of eight stereoisomers (RRR, RRS, RSS, RSR, SRR, SSR, SRS and SSS) in equal quantities..
Category: Organic Chemicals.
Independent reference data for DL-a-Tocopherol (CAS 113085-06-6), compiled from public chemistry databases.
| CAS Registry Number | 113085-06-6 |
|---|---|
| PubChem CID | 2116 |
| Molecular formula | C29H50O2 |
| IUPAC name | 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol |
| UNII (FDA) | 7QWA1RIO01 |
| Molecular Weight | 430.7 |
|---|---|
| XLogP3 | 10.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 12 |
| Exact Mass | 430.381080833 |
| Monoisotopic Mass | 430.381080833 |
| Topological Polar Surface Area | 29.5 |
| Heavy Atom Count | 31 |
| Boiling Point | BP: 200-220 °C at 0.1 mmHg |
|---|---|
| Melting Point | 2.5-3.5 °C |
| Density | 0.950 at 25 °C/4 °C |
| Refractive Index | [n]D/20 1,503-1,507 |
DL-ALPHA-TOCOPHEROL; 10191-41-0; Ephanyl; alpha-Tocopherol, DL-; Vitamin E DL-alpha; dl-.alpha.-Tocopherol; UNII-7QWA1RIO01; DL-5,7,8-trimethyltocol; 7QWA1RIO01; CCRIS 5853; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-; EINECS 233-466-0; .Alpha.-tocopherol, DL-; RONOTEC DF 120; IRGANOX E 210; UVINUL 2000AO
| Regulatory & Food Contact | ANTIOXIDANT: Food Additives ANTIOXIDANT; NUTRIENT_SUPPLEMENT: Food Additives JECFA ADI: 0.15-2 mg/kg bw TRS 751-JECFA 30/18 FAS 21-JECFA 30/55 RRR-alpha-TOCOPHEROL |
|---|---|
| GHS notification summary | 25.2% (567 / 2247) |
| GHS notification summary | 25.2% (567 / 2247) |
|---|---|
| Reported hazard statements | H317 (74.3%) |
This chemical does not meet GHS hazard criteria for 25.2% (567 of 2247) of reports.
H317 (74.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
DL-a-Tocopherol · CAS 113085-06-6 · C29H50O2. UNII 7QWA1RIO01. Boiling Point: BP: 200-220 °C at 0.1 mmHg; Melting Point: 2.5-3.5 °C; Density: 0.950 at 25 °C/4 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: DL-α-生育酚