基本情報
- 標準SMILES
COCCOCCOCCOC- InChIKey
YFNKIDBQEZZDLK-UHFFFAOYSA-N- 分子式
- C8H18O4
- 平均分子量
- 178.23 g/mol
- 単同位体質量
- 178.12050906
概要
Triethylene glycol dimethyl ether is a clear colorless liquid with a mild ethereal odor. (NTP, 1992)
名称と識別子
- 優先名称
- Triglyme
- IUPAC
- 1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
- 現地名
- トリエチレングリコールジメチルエーテル
- 英語名
- Triethylene glycol dimethyl ether
- 分子式
- C8H18O4
- 分子量
- 178.23
名称と別名
名称をさらに表示
データベース識別子
- CAS
112-49-2- PubChem CID
- 8189
- DTXSID
DTXSID8026224- ChEMBL
CHEMBL1235255- ChEBI
CHEBI:44842- UNII
- 32YXG88KK0
- EC Number
- 203-977-3
- Nikkaji
- J5.127F
物性
構造計算による物性
- XLogP
- -0.5
- 極性表面積
- 36.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 9
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 67.5
実験および物理化学的性質
Density
0.99 at 68 °F (NTP, 1992) - Less dense than water; will float
Relative density (water = 1): 0.99
0.986 @25 °C
Solubility
greater than or equal to 100 mg/mL at 70 °F (NTP, 1992)
Solubility in water: miscible
Flash Point
232 °F (NTP, 1992)
111 °C o.c.
Boiling Point
421 °F at 760 mmHg (NTP, 1992)
216 °C
216 °C @760 [mm Hg]
Melting Point
-49 °F (NTP, 1992)
-45 °C
Vapor Density
4.7 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Relative vapor density (air = 1): 6.14
Vapor Pressure
0.9 mmHg at 68 °F (NTP, 1992)
0.04 [mmHg]
Vapor pressure, kPa at 20 °C: 0.12
物理化学的性質
- 融点
- 45 °C · −45 °C(lit.)
- 沸点
- 216 °C · 216 °C(lit.)
- 比重(密度)
- 0.986 g/mL · 0.986 g/mL at 25 °C(lit.)
- 蒸気密度
- 4.7 · >4.7 (vs air)
- 蒸気圧
- 1.2 hPa · 1.2 hPa (20 °C)
- 屈折率
- 20 · n20/D 1.423(lit.)
- 闪点
- 231 °F · 231 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 1000 g/l · >1000g/l 可溶
- 外見
- 液体
- 色
- 20 · APHA: ≤20
- PH
- 7 · 7
- 爆発限界(explosive limit)
- 0.7 % · 0.7%(V)
- 水溶解度
- 溶ける
- Merck
- 14 · 14,9692
- BRN
- 1700630 · 1700630
- Dielectric constant
- 7.5 · 7.5
- 主な用途
- 環境
- InChI
- 1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3
- InChIKey
- YFNKIDBQEZZDLK-UHFFFAOYSA-N
- SMILES
- COCCOCCOCCOC
- LogP
- -0.52 at · -0.52 at 20℃
- 表面張力
- 27.56 mN/m · 27.56mN/m at 298.15K
- CAS データベース
- 112 · 112-49-2(CAS DataBase Reference)
- NISTの化学物質情報
- 2 · 2,5,8,11-Tetraoxadodecane(112-49-2)
- EPAの化学物質情報
- Triethylene glycol dimethyl ether (112-49-2)
化学的性質
化学的特性Water-white liquid; mild ether odor. D 0.9862 (20/20C), refr index 1.4233 (20C), flash p 232F (111C), bp 216.0C (760mmHg), 153.6C (100 mm Hg), fp 46C. Completely soluble in water and hydrocarbons at 20C. May contain peroxides. Combustible.
安全と法規制
GHS分類
GHS Classification
Danger
H360Df: May damage the unborn child; Suspected of damaging fertility [Danger Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Danger
H319 (22.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P203, P264+P265, P280, P305+P351+P338, P318, P337+P317, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: 2,5,8,11-Tetraoxadodecane
Hazard Traits - Reproductive Toxicity
S - indicates a substance that is identified in a final Significant New Use Rule.
Status: Active Update: 04-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10247
Substance: 1,2-bis(2-methoxyethoxy)ethane (TEGDME; triglyme)
Triethylene glycol dimethyl ether: Does not have an individual approval but may be used under an appropriate group standard
Fire Hazards
This chemical is combustible. (NTP, 1992)
Combustible.
Hazards Summary
May have adverse effects on human reproduction, based on animal studies; [ICSC] Labeled as May impair fertility and May cause harm to the unborn child by EU regulations; [Glycol Ethers Online] Prolonged contact with air can form explosive peroxides; [CAMEO] A skin and eye irritant; [NTP] May form explosive peroxides; An irritant; May cause impaired fertility and fetal toxicity; [Alfa Aesar MSDS] See Monoglyme.
Reactivity Profile
TRIETHYLENE GLYCOL DIMETHYL ETHER forms explosive peroxides on prolonged exposure to air. Its decomposition products may be sensitive to shock. The bulk chemical is stable for 2 weeks at temperatures up to 140 °F when protected from light. This chemical is incompatible with strong oxidizers. It is also incompatible with strong acids. It may react with peroxides, oxygen, nitric acid and sulfuric acid. (NTP, 1992).
Hazard Classes and Categories
Eye Irrit. 2 (22.6%)
Reproductive toxicity - category 1B
Reproductive toxicity - Category 2
Repr. 1B
安全と保護具
Fire Fighting
Fires involving this material can be controlled with a carbon dioxide, dry chemical or Halon extinguisher. A water spray may also be used. (NTP, 1992)
Use water spray, foam, powder, carbon dioxide.
First Aid Measures
Fresh air, rest.
Remove contaminated clothes. Rinse skin with plenty of water or shower.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth. Give one or two glasses of water to drink.
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: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
毒性情報
安全データ
- F
- 3
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- XF0665000
- 毒性
- LD50 orally in Rabbit: 5390 mg/kg
- hs_code
- 29094990
- risk_code
- 61-19-62
- 化審法
- (7)-1321
- 消防法
- 危-4-3-III
- hazard_code
- T
- safety_code
- 53-45
- 自然発火温度
- 375 °F
- Hazard Classifications
- Eye Irrit. 2Repr. 1B
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
用途と製造
応用分野
用途溶剤、加工助剤として産業用化学品の製造配合製剤
用途溶剤、冷媒、吸収剤、酸性ガス洗浄剤
用途汎用溶剤。
使用Triethylene glycol dimethyl ether is used as a solvent for gases and coupling immiscible liquid. It is also used to prepare perfluoro-triethyleneglycoldimethylether.
調製方法
純化方法Reflux it with, and distil it from sodium hydride or LiAlH4. [Beilstein 1 IV 2401.]
上流・下流製品情報
下流製品
サプライヤー50 社
補足説明
定義ChEBI: A polyether that consists of dodecane in which the carbon atoms at positions 2, 5, 8 and 11 are replaced by oxygen atoms.
関連反応
関連ノート
読み込み中…