基本情報
- CAS
52225-20-4- 標準SMILES
CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2- InChIKey
ZAKOWWREFLAJOT-UHFFFAOYSA-N- 分子式
- C31H52O3
- 平均分子量
- 472.7 g/mol
- 単同位体質量
- 472.39164552
概要
DL-alpha-Tocopherol acetate is a tocol.
名称と識別子
- 優先名称
- Dl-alpha-tocopherol acetate
- IUPAC
- [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetate
- 現地名
- rac-(R*)-3,4-ジヒドロ-2,5,7,8-テトラメチル-2-[(4R*,8R*)-4,8,12-トリメチルトリデシル]-2H-1-ベンゾピラン-6-オールアセタート
- 英語名
- DL-ALPHA-TOCOPHEROL ACETATE
- 分子式
- C31H52O3
- 分子量
- 472.74
名称と別名
DL-alpha-Tocopherol acetate52225-20-4all-rac-alpha-Tocopheryl acetate(+-)-alpha-Tocopherol acetateAlpha-tocopherol acetate, dl-WR1WPI7EW8Tocopheryl Acetate, dl-AlphaAlpha-tocopheryl acetate, dl-Vitamin E acetate dl-[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetateJ262.912G(2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl) acetate
名称をさらに表示
ユベラrac-酢酸[(2R*)-2,5,7,8-テトラメチル-2-[(4R*,8R*)-4,8,12-トリメチルトリデシル]-3,4-ジヒドロ-2H-1-ベンゾピラン-6-イル]酢酸dl-α-トコフェロールビタミンE酢酸エステルrac-α-トコフェリルアセタートrac-(2R*)-3,4-ジヒドロ-2,5,7,8-テトラメチル-2-[(4R*,8R*)-4,8,12-トリメチルトリデシル]-2H-1-ベンゾピラン-6-オールアセタートトコフェロール酢酸エステルオプトビットE酢酸トコフェロールdl-ビタミンEアセタートdl-α-トコフェロールアセタートユーソビットエビゲンバナールEロビミックスE50ASデツリン
物性
構造計算による物性
- XLogP
- 10.8
- 極性表面積
- 35.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 14
- 重原子数
- 34
- 形式電荷
- 0
- 複雑度
- 601
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (Tocopheryl Acetate) -> CIR (Cosmetic Ingredient Review)
Antioxidant
Personal care product
FragrancesFragrance Ingredient (2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate) -> IFRA transparency List
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point26.5 - 27.5 °C
Physical Description
Large Crystals
Solid
Collision Cross Section230.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- -27.5 ° · -27.5°
- 沸点
- 0.01 · bp0.01 184°; bp0.025 194°; bp0.3 224°
- 比重(密度)
- 0.96 g/mL · 0.96 g/mL at 20 °C(lit.)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 95.4% (1849 of 1939) of all reports.
Not Classified
Aggregated GHS information provided per 1939 reports by companies from 5 notifications to the ECHA C&L Inventory.
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, 6-acetate
Chemical: 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R*(4R*,8R*)]-
Regulation (EC) No 1831/2003 (amended)
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, 6-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, 6-acetate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate (EC: 231-710-0)
Vitamin E Acetate DL Form: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
Evaluation - Tocopherols and their salts and esters
Evaluation - Tocopherols and their salts and esters
EPA Safer ChemicalChemical: Vitamin E acetate
Hazard Classes and CategoriesNot Classified
化学と産業
薬理情報
Cellular LocationsExtracellular
用途と製造
UsesCIR ingredient: Tocopheryl Acetate
U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesAntioxidant
Industry UsesUV stabilizer
Household Products
Information on 897 consumer products that contain Tocopheryl acetate in the following categories is provided:
Information on 12 consumer products that contain Tocopherol acetate in the following categories is provided:
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
Cosmetics -> Antioxidant
General Manufacturing Information
Plastics Material and Resin Manufacturing
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, 6-acetate: ACTIVE
応用分野
使用As an antioxidant in vegetable oils and shortening.
一般的な説明Tocopheryl acetate is a natural form of Vitamin E, used as a fortifying agent and dietary supplement for Vitamin E in food. It is also the main ingredient of skin care products and dermatological preparations. Tocopheryl acetate in combination with α-tocopherol has been used in the therapy of conditions such as sterility, muscular dystrophy, cardiac vascular disorders and anemia.
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