基本情報
- 標準SMILES
CCCCCCCCCCCCOP(=O)(O)O- InChIKey
TVACALAUIQMRDF-UHFFFAOYSA-N- 分子式
- C12H27O4P
- 平均分子量
- 266.31 g/mol
- 単同位体質量
- 266.16469597
概要
The CIR Expert Panel concluded the following 28 alkyl phosphates are safe in the present practices of use and concentration in cosmetics when formulated to be non-irritating...Lauryl Phosphate...
名称と識別子
- 優先名称
- Lauryl Phosphate
- IUPAC
- dodecyl dihydrogen phosphate
- 現地名
- りん酸ドデシル
- 英語名
- Dodecyl dihydrogen phosphate
- 分子式
- C12H27O4P
- 分子量
- 266.31
名称と別名
名称をさらに表示
データベース識別子
- CAS
2627-35-2- PubChem CID
- 75816
- DTXSID
DTXSID70880492- ChEMBL
CHEMBL187711- UNII
- 0K08L8GE2H
- EC Number
- 220-095-4
- Nikkaji
- J192.141J
物性
構造計算による物性
- XLogP
- 4
- 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
- 12
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 203
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (Lauryl Phosphate) -> CIR (Cosmetic Ingredient Review)
Emulsifying
物理化学的性質
- 融点
- 39 · 39-45°C
- 沸点
- 385.5 · 385.5±25.0 °C(Predicted)
- 比重(密度)
- 1.056 · 1.056±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 1.95 · 1.95±0.10(Predicted)
- 外見
- 白からオフホワイトの固体。
- 水溶解度
- 水に不溶。
- BRN
- 1710518 · 1710518
- InChI
- 1S/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)
- InChIKey
- TVACALAUIQMRDF-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCOP(O)(O)=O
- CAS データベース
- 2627 · 2627-35-2(CAS DataBase Reference)
- EPAの化学物質情報
- Monolauryl phosphate (2627-35-2)
安全と法規制
GHS分類
GHS Classification
Danger
H314 (14.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Phosphoric acid, monododecyl ester
Phosphoric acid, monododecyl 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.
毒性情報
Toxicity Summary
The CIR Expert Panel concluded the following 28 alkyl phosphates are safe in the present practices of use and concentration in cosmetics when formulated to be non-irritating...Lauryl Phosphate...
Safe for use in cosmetics, with qualifications
安全データ
- wgk
- WGK 2
- tsca
- TSCA listed
- ridadr
- 3261
- risk_code
- 36/37/38-43-41-37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39-45
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
応用分野
使用mono-n-Dodecyl phosphate is a lysophosphatidic acid (LPA) receptor ligand which serves as a specific agonist at EDG-4 (LPA2) (EC50=700 nM) and antagonist at EDG-7
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