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基本情報
- CAS
19670-51-0- 標準SMILES
CCCCCCCCCCCCCCCC(=O)OCC(O)CO- InChIKey
QHZLMUACJMDIAE-UHFFFAOYSA-N- 分子式
- C19H38O4
- 平均分子量
- 330.5 g/mol
- 単同位体質量
- 330.27700969
名称と識別子
- 優先名称
- 1-Monopalmitin
- IUPAC
- 2,3-dihydroxypropyl hexadecanoate
- 現地名
- 1-パルミトイル-RAC-グリセロール
- 英語名
- 1-Palmitoyl-rac-glycerol
- 分子式
- C19H38O4
- 分子量
- 330.5
名称と別名
542-44-91-Monopalmitin1-PalmitoylglycerolHexadecanoic acid, 2,3-dihydroxypropyl esterPalmitin, 1-mono-1-Monohexadecanoyl-rac-glycerolPalmitoyl glycerolU9H9OM3S751-glyceryl hexadecanoaterac-1(3)-palmitoyl glycerolRefChem:907716243-218-3
名称をさらに表示
1-パルミトイル-RAC-グリセロール1-モノパルミトイル-RAC-グリセロール2-PALMITOYLGLYCEROLGlycerin plamitateGLYCERYL MONOPALMITATEEMALEX GMS-PHEXADECANOIND,L-A-PALMITIN2-MONOPALMITINDL-ALPHA-PALMITIN
Monopalmitin1-Palmitoyl-rac-glycerol2,3-dihydroxypropyl hexadecanoate19670-51-01-Monopalmitoylglycerol2,3-Dihydroxypropyl palmitateGlycerol 1-monopalmitateGlycerol 1-palmitate
データベース識別子
- CAS
19670-51-0、26657-96-5、32899-41-5、542-44-9、68002-70-0- PubChem CID
- 14900
- DTXSID
DTXSID00891470- ChEMBL
CHEMBL1078140、CHEMBL2075037- ChEBI
CHEBI:69081- UNII
- U9H9OM3S75
- EC Number
- 208-812-9、243-218-3、247-887-2
- Nikkaji
- J6.399A
物性
構造計算による物性補完中
- XLogP
- 6.3
- 極性表面積
- 66.8 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 18
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 256
実験および物理化学的性質
Physical Description
Large Crystals
White powder; [Sigma-Aldrich MSDS]
Collision Cross Section
187.47 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；184.81 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；180.46 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
195.9 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 65 · 65-68°C
- 貯蔵温度
- 20 °C · −20°C
- 溶解性
- クロロホルム（微量）、DMSO（微量）、酢酸エチル（微量）、メタノール（微量）
- 外見
- 個体
- 色
- ホワイトからオフホワイト
- Dielectric constant
- 5.3 · 5.3(67℃)
- CAS データベース
- 19670 · 19670-51-0(CAS DataBase Reference)
化学的性質
化学的特性White Solid
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 100% (110 of 110) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 110 of 110 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 110 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 110 of 110 reports by companies.；There are 0 notifications provided by 0 of 110 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
This chemical does not meet GHS hazard criteria for 25% (6 of 24) of reports.
H411 (75%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
危険有害性情報
Regulatory Information
Chemical: Hexadecanoic acid, 2,3-dihydroxypropyl ester
Chemical: Hexadecanoic acid, monoester with 1,2,3-propanetriol
Hexadecanoic acid, monoester with 1,2,3-propanetriol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexadecanoic acid, monoester with 1,2,3-propanetriol 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)
Hexadecanoic acid, 2,3-dihydroxypropyl ester: 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 Information
IMAP assessments - Hexadecanoic acid, 2,3-dihydroxypropyl ester: Human health tier I assessment
IMAP assessments - Hexadecanoic acid, monoester with 1,2,3-propanetriol: Human health tier I assessment
化学と産業
用途と製造
UsesA biomarker of metabolic responses to hepatotoxicants and carcinogens. [Chemical Book]
U.S. Production2023: 50,000 - <250,000 lb；2022: <50,000 lb；2021: <50,000 lb；2020: <50,000 lb
Consumer UsesAnti-static agent
Industry UsesAnti-static agent
Use ClassificationCosmetics -> Emollient
General Manufacturing Information
Plastics Material and Resin Manufacturing
Hexadecanoic acid, 2,3-dihydroxypropyl ester: ACTIVE
Hexadecanoic acid, monoester with 1,2,3-propanetriol: ACTIVE
サプライヤー100 社
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
上海毕合生物化学技术有限公司13816464724 15900990114 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
関連反応
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化合物ノート
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