基本情報
- 標準SMILES
CCCCCCCCOCCCCCCCC- InChIKey
NKJOXAZJBOMXID-UHFFFAOYSA-N- 分子式
- C16H34O
- 平均分子量
- 242.44 g/mol
- 単同位体質量
- 242.26096571
概要
Di-n-octyl ether is a liquid. (NTP, 1992)
名称と識別子
- 優先名称
- Dicaprylyl Ether
- IUPAC
- 1-octoxyoctane
- 現地名
- n-オクチルエーテル
- 英語名
- DIOCTYL ETHER
- 分子式
- C16H34O
- 分子量
- 242.44
名称と別名
名称をさらに表示
データベース識別子
- CAS
629-82-3- PubChem CID
- 12399
- DTXSID
DTXSID20862324- ChEBI
CHEBI:88651- UNII
- 77JZM5516Z
- EC Number
- 211-112-6、692-043-2
- Nikkaji
- J27.108J
物性
構造計算による物性
- XLogP
- 6.9
- 極性表面積
- 9.2 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 14
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 109
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (Dicaprylyl Ether) -> CIR (Cosmetic Ingredient Review)
Solvent
Personal care product
Physical Description
Di-n-octyl ether is a liquid. (NTP, 1992)
CBI; Liquid
Liquid; [CAMEO] Clear colorless liquid; [MSDSonline]
物理化学的性質
- 融点
- 7.6 °C · −7.6 °C(lit.)
- 沸点
- 286 · 286-287 °C(lit.)
- 比重(密度)
- 0.806 g/mL · 0.806 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.433(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 2 · Storage temp. 2-8°C
- 溶解性
- 0.1 g/L · 水:可溶0.1g/L at 20℃
- 外見
- clear liquid
- 色
- Colorless to Light yellow
- 水溶解度
- 0.1 g/L · water: soluble 0.1g/L at20°C
- BRN
- 1748226 · 1748226
- Henry's Law Constant
- 1.3 · 1.3×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
- 安定性
- 安定。可燃性。強力な酸化剤とは相容れない。
- 化粧品成分の機能
- スキンコンディショニング皮膚コンディショニング剤 - 保湿剤溶媒
- InChI
- InChI=1S/C16H34O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
- InChIKey
- NKJOXAZJBOMXID-UHFFFAOYSA-N
- SMILES
- O(CCCCCCCC)CCCCCCCC
- LogP
- 6.94 · 6.94
- CAS データベース
- 629 · 629-82-3(CAS DataBase Reference)
- EPAの化学物質情報
- Di-n-octyl ether (629-82-3)
化学的性質
化学的特性colourless liquid
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (173 of 173) of all reports.
Not Classified
Aggregated GHS information provided per 173 reports by companies from 1 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.
Not Classified
Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Octane, 1,1'-oxybis-
Octane, 1,1'-oxybis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octane, 1,1'-oxybis- 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)
Status: Active Update: 20-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/2013
Octyl ether: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
DI-N-OCTYL ETHER, an ether, can act as a base. They form salts with strong acids and addition complexes with Lewis acids. The complex between diethyl ether and boron trifluoride is an example. Ethers may react violently with strong oxidizing agents. In other reactions, which typically involve the breaking of the carbon-oxygen bond, ethers are relatively inert.
Air and Water Reactions
Ethers tend to form unstable peroxides when exposed to oxygen. Ethyl, isobutyl, ethyl tert-butyl, and ethyl tert-pentyl ether are particularly hazardous in this respect. Ether peroxides can sometimes be observed as clear crystals deposited on containers or along the surface of the liquid.
Hazard Classes and Categories
Not Classified
Not Classified
安全と保護具
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter.
毒性情報
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- RH8800000
- hs_code
- 29091990
- 化審法
- (2)-3074
- 消防法
- 危-4-3-III
- safety_code
- 23-24/25
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
Uses
CIR ingredient: Dicaprylyl Ether
Used as an analytical reagent; [MSDSonline]
General Manufacturing Information
Not Known or Reasonably Ascertainable
Octane, 1,1'-oxybis-: ACTIVE
応用分野
使用Dioctyl ether has been used in the preparation of:11nm-sized monodisperse iron nanoparticlescobalt ferrite nanocrystals with a particle diameter of 6nmCoPt-polymer nanostructured composites
一般的な説明Liquid.
上流・下流製品情報
上流原料
下流製品
サプライヤー50 社
補足説明
定義本品は、次の化学式で表されるエーテルである。
関連反応
関連ノート
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