基本情報
- 標準SMILES
CCCCCCCCCCCCCC(=O)OCC(O)CO- InChIKey
DCBSHORRWZKAKO-UHFFFAOYSA-N- 分子式
- C17H34O4
- 平均分子量
- 302.4 g/mol
- 単同位体質量
- 302.24570956
名称と識別子
- 優先名称
- Glyceryl Myristate
- IUPAC
- 2,3-dihydroxypropyl tetradecanoate
- 英語名
- MONOMYRISTIN
- 分子式
- C17H34O4
- 分子量
- 302.45
名称と別名
名称をさらに表示
データベース識別子
- CAS
27214-38-6、589-68-4、75685-84-6- PubChem CID
- 79050
- DTXSID
DTXSID0042454- ChEMBL
CHEMBL463092- ChEBI
CHEBI:75562- UNII
- SMJ2192F1R
- EC Number
- 248-329-0
- Nikkaji
- J104.106A
物性
構造計算による物性
- XLogP
- 5.2
- 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
- 16
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 231
実験および物理化学的性質
Collision Cross Section
183.7 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0042454]
183.5 Ų [M+Na]+
物理化学的性質
- 融点
- 68 · 68-70 °C
- 貯蔵温度
- 20 °C · −20°C
- Dielectric constant
- 6.1 · 6.1(70℃)
- CAS データベース
- 75685 · 75685-84-6(CAS DataBase Reference)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (31 of 31) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 31 of 31 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 31 reports by companies from 1 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 31 of 31 reports by companies.;There are 0 notifications provided by 0 of 31 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.
危険有害性情報
Regulatory Information
Chemical: Tetradecanoic acid, 2,3-dihydroxypropyl ester
Chemical: Tetradecanoic acid, monoester with 1,2,3-propanetriol
Status: Active Update: 02-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22485
Tetradecanoic acid, monoester with 1,2,3-propanetriol: 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.
Tetradecanoic 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 - Tetradecanoic acid, monoester with 1,2,3-propanetriol: Human health tier I assessment
IMAP assessments - Tetradecanoic acid, 2,3-dihydroxypropyl ester: Human health tier I assessment
毒性情報
法規制情報
Regulatory Information
Chemical: Tetradecanoic acid, 2,3-dihydroxypropyl ester
Chemical: Tetradecanoic acid, monoester with 1,2,3-propanetriol
Status: Active Update: 02-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22485
Tetradecanoic acid, monoester with 1,2,3-propanetriol: 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.
Tetradecanoic 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.
安全データ
- wgk
- 3
- safety_code
- 22-24/25
化学と産業
用途と製造
サプライヤー25 社
関連反応
関連ノート
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