ヒドロキシプロピルデンプンリン酸
Pentaethylene glycol
基本情報
- CAS
113894-92-1- 標準SMILES
OCCOCCOCCOCCOCCO- InChIKey
JLFNLZLINWHATN-UHFFFAOYSA-N- 分子式
- C10H22O6
- 平均分子量
- 238.28 g/mol
- 単同位体質量
- 238.14163842
概要
Pentaethylene glycol is a poly(ethylene glycol).
名称と識別子
- 優先名称
- Pentaethylene glycol
- IUPAC
- 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
- 現地名
- ヒドロキシプロピルデンプンリン酸
- 英語名
- Hydroxypropyl starch phosphate
- 分子式
- C10H22O6
- 分子量
- 238.27808
名称と別名
Pentaethylene glycol4792-15-83,6,9,12-Tetraoxatetradecane-1,14-diolDTXSID4027579DTXCID407579CHEBI:39631RefChem:171360225-341-42-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanolHO-PEG5-OHMFCD00002878Pentaglycol
名称をさらに表示
ヒドロキシプロピルデンプンリン酸Hydroxypropyl starch phosphateAmylopectin, phosphate, 2-hydroxypropyl ether
HO[CH2CH2O]5HOH-PEG5-OHEINECS 225-341-4BRN 1635593113894-92-1Tox21_201721PENTAETHYLENEGLYCOLCAS-4792-15-8
データベース識別子
- CAS
113894-92-1、4792-15-8- PubChem CID
- 62551
- DTXSID
DTXSID4027579- ChEMBL
CHEMBL1229766- ChEBI
CHEBI:39631- EC Number
- 225-341-4
- Nikkaji
- J96.998B
物性
構造計算による物性
- XLogP
- -1.7
- 極性表面積
- 77.4 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 6
- 回転可能結合数
- 13
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 108
実験および物理化学的性質
Chemical ClassesOther Classes -> Ethylene Glycols
SpringerMaterials PropertiesBoiling point
SurfactantsSurfactant
Physical Description
Liquid
Liquid; [OECD SIDS - Pentaethylene Glycol] Colorless liquid; [Alfa Aesar MSDS]
Collision Cross Section
150.1 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4027579]
149.58 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 化粧品成分の機能
- 粘度制御増量剤
- EPAの化学物質情報
- 2 · Amylopectin, phosphate, 2-hydroxypropyl ether (113894-92-1)
化学的性質
化学的特性Hydroxypropyl starch occurs as a free-flowing white to off-white coarse powder.
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
Warning
H315 (97.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 146 reports by companies from 6 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: 3,6,9,12-Tetraoxatetradecane-1,14-diol
Chemical: Amylopectin, phosphate, 2-hydroxypropyl ether
3,6,9,12-Tetraoxatetradecane-1,14-diol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3,6,9,12-Tetraoxatetradecane-1,14-diol 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)
FRI - indicates a polymeric substance containing no free-radical initiator in its Inventory name but is considered to cover the designated polymer made with any free-radical initiator regardless of the amount used.
Amylopectin, phosphate, 2-hydroxypropyl ether: Does not have an individual approval but may be used under an appropriate group standard
3,6,9,12-Tetraoxatetradecane-1,14-diol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
IMAP assessments - Amylopectin, phosphate, 2-hydroxypropyl ether: Human health tier I assessment
IMAP assessments - 3,6,9,12-Tetraoxatetradecane-1,14-diol: Human health tier I assessment
Hazards Summary
Causes liver and male reproductive effects in 26-week intermittent oral studies of rats; [RTECS] Ethylene glycols: Category members demonstrate decreasing potential for systemic, reproductive, and developmental toxicity as the molecular weight increases; low dermal bioavailability; no evidence of skin sensitization in humans or guinea pigs; some evidence of mutagenicity; and no evidence of carcinogenicity. Pentaethylene glycol has the highest molecular weight in the category. The lowest molecular weight members produce renal toxicity by repeated oral exposure and developmental toxicity when rapidly ingested (bolus). These effects are not expected to occur with pentaethylene glycol; [OECD SIDS - Ethylene Glycols Category] A strong eye irritant; [Alfa Aesar MSDS]
化学と産業
用途と製造
Uses
Used in commercial mixtures (with tri- and tetraethylene glycols) added to brake fluids and in cement grinding; [OECD SIDS - Pentaethylene Glycol] Not manufactured in the pure form in the US; Commercial mixtures with tetraethylene glycol are produced as byproducts following distillation of ethylene, diethylene, and triethylene glycols; [OECD SIDS - Ethylene Glycols Category]
Cement Producing [Category: Industry]
U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate
Household ProductsInformation on 3 consumer products that contain Pentaethylene glycol in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Processing Aids and Additives
Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
3,6,9,12-Tetraoxatetradecane-1,14-diol: ACTIVE
Amylopectin, phosphate, 2-hydroxypropyl ether: ACTIVE
調製方法
Hydroxypropyl starch is produced industrially from natural starch, using propylene oxide as the modifying reagent in the presence of alkali, adding hydroxypropyl (CH(OH)CH2CH3) groups at the OH positions by an ether linkage.
上流・下流製品情報
上流原料
関連反応
51 件
HRID 1031277溶媒として39 compound library from "Building a Sulfonamide Library by Eco-Friendly Flow Synthesis"
HRID 1031278溶媒として39 compound library from "Building a Sulfonamide Library by Eco-Friendly Flow Synthesis"
HRID 1031279溶媒として39 compound library from "Building a Sulfonamide Library by Eco-Friendly Flow Synthesis"
化合物ノート
読み込み中…