(+)-gamma-Tocopherol (HCID 92729)

개요

Gamma-tocopherol is a tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 7 and 8. It is found particularly in maize (corn) oil and soya bean (soybean) oils. It has a role as a plant metabolite, a food antioxidant and an algal metabolite. It is a tocopherol and a vitamin E.

이름 및 식별자

우선 이름: (+)-gamma-Tocopherol
IUPAC: (2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
영어명: D-gamma-Tocopherol
분자식: C28H48O2
분자량: 416.68

이름 및 동의어

gamma-Tocopherol54-28-4(+)-gamma-Tocopherol7,8-Dimethyltocolo-XylotocopherolGamma tocopherolDTXSID90490318EF1Z1238FJ213.540JDTXCID0028957CHEBI:18185(2R)-3,4-dihydro-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol

이름 더 보기

VITAMIN E(GAMMA)(+)-γ-Tocopherol(+)-γ-TocopherolD-G-TOCOPHEROLD-γ-Tocopherol(+)-g-TocopherolD-GAMMA-TOCOPHEROLVITAMIN E(GAMMA)(RG)

(2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol3,4-Dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-olRRR-gamma-Tocopherol(R,R,R)-gamma-Tocopherol(2R)-3,4-DIHYDRO-2,7,8-TRIMETHYL-2-((4R,8R)-4,8,12-TRIMETHYLTRIDECYL)-2H-1-BENZOPYRAN-6-OL2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, (2R)-2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-DTXSID5044075

데이터베이스 식별자

CAS: 54-28-4、7616-22-0
PubChem CID: 92729
DTXSID: DTXSID9049031
ChEMBL: CHEMBL2151591
ChEBI: CHEBI:18185
UNII: 8EF1Z1238F
EC Number: 200-201-5
Nikkaji: J213.540J

물성

구조 계산 물성

XLogP: 10.3
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 12
무거운 원자 수: 30
형식 전하: 0
복잡도: 475

실험 및 물리화학적 성질

LipidsLipids -> Prenol Lipids [PR] -> Quinones and hydroquinones [PR02] -> Vitamin E [PR0202]

FragrancesFragrance Ingredient (2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-) -> IFRA transparency List

Solubility128 mg/mL

Boiling Point226.20 °C. @ 760.00 mm Hg

Melting Point-67.50 °C. @ 760.00 mm Hg

Refractive Index[n]D/20 1,503-1,507

물리화학적 성질

끓는 점: 200 °C · 200 °C (0.1 mmHg)
밀도: 0.9882 · 0.9882 (rough estimate)
굴절률: 20 · n20/D 1.505
인화점: 9 ℃ · 9℃
저장 조건: -20 °C · -20°C
용해도: 클로로포름(적당), 에탄올(약간), 메탄올(적당)에 용해됨
물리적 상태: 점성 액체
산도 계수 (pKa): 11.05 · 11.05±0.40(Predicted)
색상: 클리어 라이트 브라운
Merck: 13 · 13,9573
BRN: 93072 · 93072
안정성: 감광성
화장품 원료 기능: 항산화제향기피부 컨디셔닝 - 기타피부 컨디셔닝 - 밀폐제
InChI: 1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1
InChIKey: QUEDXNHFTDJVIY-DQCZWYHMSA-N
SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1
LogP: 11.44 · 11.440 (est)
EPA: D-.gamma.-Tocopherol (54-28-4)

화학적 성질

clear light brown viscous liquid

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (115 of 115) of all reports.

Not Classified

Aggregated GHS information provided per 115 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-

Regulation (EC) No 1333/2008 (amended)

2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4R,8R)-4,8,12-trimethyltridecyl-, (2R)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationEvaluation - Tocopherols and their salts and esters

EPA Safer ChemicalChemical: D-gamma-Tocopherol

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN1230 - class 3 - PG 2 - Methanol, solution
HS 번호: 29362800
risk_code: 11-23/24/25-39/23/24/25
hazard_code: F,T
safety_code: 24/25-45-36/37-16-7
기존화학 물질: KE-10771
F 고인화성물질: 8-10-23
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.

Organic substances that are required in small amounts for maintenance and growth, but which cannot be manufactured by the human body.

Tissue LocationsAdipose Tissue

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 4건

EPA Safer Chemical Functional Use Classes -> Preservatives and Antioxidants

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

Food additives

Fragrance Ingredients

General Manufacturing Information2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-: ACTIVE

응용 분야 · 2건

용도One of the naturally occurring forms of Vitamin E. Most abundant Tocopherol in soybean and corn oils.

일반 설명A lipid soluble form of Vitamin E, gamma-Tocopherol is important to human health as an antioxidant and food additive. Vitamin E deficiency, often the result of poor nutrition or low absorption of dietary fat, is monitored in patient serum samples by LC-MS/MS or HPLC.