기본 정보
- CAS
52225-20-4- 표준 SMILES
CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2- InChIKey
ZAKOWWREFLAJOT-UHFFFAOYSA-N- 분자식
- C31H52O3
- 평균 분자량
- 472.7 g/mol
- 단동위원소 질량
- 472.39164552
개요
DL-alpha-Tocopherol acetate is a tocol.
이름 및 식별자
- 우선 이름
- Dl-alpha-tocopherol acetate
- IUPAC
- [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetate
- 영어명
- DL-ALPHA-TOCOPHEROL ACETATE
- 분자식
- C31H52O3
- 분자량
- 472.74
이름 및 동의어
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
이름 더 보기
VITAMIN E OILDL-ALPHA-TOCOPHERYL ACETATEDL-A-TOCOPHERYL ACETATEDL-A-TOCOPHEROL ACETATEALPHA-TOCOPHERYL ACETATEephynalDL-ECONEPSILAN-MDL-ALFACOL
RefChem:1083891Tocopheryl acetate,dl-alphad,l-alpha-Tocopherol AcetateNSC379576257-757-77695-91-2Tocopheryl acetateVitamin E acetate
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 10.8
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 601
실험 및 물리화학적 성질
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]
물리화학적 성질
- 녹는점
- -27.5 ° · -27.5°
- 끓는 점
- 0.01 · bp0.01 184°; bp0.025 194°; bp0.3 224°
- 밀도
- 0.96 g/mL · 0.96 g/mL at 20 °C(lit.)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
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
응용 분야
용도As an antioxidant in vegetable oils and shortening.
일반 설명Tocopheryl 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.
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…