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ネオペンチルグリコールジグリシジルエーテル

Neopentyl glycol diglycidyl ether

HCID 28594
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
17557-23-2
標準SMILES
CC(C)(COCC1CO1)COCC1CO1
InChIKey
KUAUJXBLDYVELT-UHFFFAOYSA-N
分子式
C11H20O4
平均分子量
216.27 g/mol
単同位体質量
216.13615912

概要

Neopentyl glycol diglycidyl ether is a clear liquid. (NTP, 1992)

名称と識別子

優先名称
Neopentyl glycol diglycidyl ether
IUPAC
2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane
現地名
ネオペンチルグリコールジグリシジルエーテル
英語名
Neopentyl glycol diglycidyl ether
分子式
C11H20O4
分子量
216.27

名称と別名

NEOPENTYL GLYCOL DIGLYCIDYL ETHERHeloxy WC682-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxiraneDiglycidyloxyneopentane1,3-Bis(2,3-epoxypropoxy)-2,2-dimethylpropaneHeloxy WC-68Oxirane, 2,2'-[(2,2-dimethyl-1,3-propanediyl)bis(oxymethylene)]bis-CCRIS 2640DTXSID8025707Diglycidyl ether of neopentyl gylcolEINECS 241-536-7UNII-9288EM7AOW
名称をさらに表示
ネオペンチルグリコールジグリシジルエーテル2,2-ジメチル-1,3-プロパンジイルビス(グリシジルエーテル)[イソプロピリデンビス(メチレン)]ビス(グリシジルエーテル)2,2'-ジメチルメチレンビス(メチレンオキシメチレン)ビスオキシラン1,3-ビス(グリシジルオキシ)-2,2-ジメチルプロパン2,2-ビス(グリシジルオキシメチル)プロパン2,2'-[ジメチルメチレンビス(メチレンオキシメチレン)]ビスオキシラン1,3-ビス(グリシジルオキシ)-2,2-ビスメチルプロパン2,2'-[(2,2-ジメチルプロパン-1,3-ジイル)ビスオキシビスメチレン]ビスオキシラン2,2'-(2,2-ジメチルプロパン-1,3-ジイル)ビス(オキシメチレン)ビスオキシランジグリシジルオキシネオペンタン2,2'-[2,2-ジメチルプロパン-1,3-ジイルビス(オキシメチレン)]ビスオキシランイソプロピリデンビス(メチレン)ビス(グリシジルエーテル)2,2'-(2,2-ジメチル-1,3-プロパンジイルビスオキシビスメチレン)ビスオキシラン

物性

構造計算による物性

XLogP
0.5
極性表面積
43.5 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
8
重原子数
15
形式電荷
0
複雑度
185

実験および物理化学的性質

PolymersPlastics & Rubber -> Glycidyl Ethers
DensityRelative density (water = 1): 1.07
Solubility5 to 10 mg/mL at 68.9 °F (NTP, 1992)
Flash Point · 2 件

greater than 200 °F (NTP, 1992)

88 °C o.c.

Vapor DensityRelative vapor density (air = 1): 7.5
Physical Description · 4 件

Neopentyl glycol diglycidyl ether is a clear liquid. (NTP, 1992)

Liquid

Clear liquid; [CAMEO] Colorless liquid with an irritating odor; [Brenntag MSDS]

LIQUID.

Collision Cross Section148.2 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8025707]

物理化学的性質

沸点
103 · 103-107 °C/1 mmHg (lit.)
比重(密度)
1.04 g/mL · 1.04 g/mL at 25 °C (lit.)
蒸気密度
1 · >1 (vs air)

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 · 6 件

Warning

H315: Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Warning

H315 (99.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 4 件

Chemical: Oxirane, 2,2'-[(2,2-dimethyl-1,3-propanediyl)bis(oxymethylene)]bis-

Oxirane, 2,2'-[(2,2-dimethyl-1,3-propanediyl)bis(oxymethylene)]bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Oxirane, 2,2'-[(2,2-dimethyl-1,3-propanediyl)bis(oxymethylene)]bis- 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)

TP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.

Neopentyl glycol diglycidyl ether: Does not have an individual approval but may be used under an appropriate group standard

Fire Hazards · 2 件

It is combustible. (NTP, 1992)

Combustible. Above 88 °C explosive vapour/air mixtures may be formed.

Hazards SummaryMay form explosive peroxides; A skin and eye irritant; May cause skin sensitization; [ICSC] A moderate skin and mild eye irritant; May cause skin sensitization; [Brenntag MSDS] See GLYCIDYL ETHERS.
Reactive GroupEthers
EC ClassificationSymbol: Xi; R: 38-43; S: (2)-24-37
Reactivity Profile · 1 件

化学と産業

用途と製造

Uses · 2 件

Permitted for use as an inert ingredient in non-food pesticide products; [EPA] Used as a modifier for epoxy resin systems; [Brenntag MSDS]

Plastic Composites Manufacturing [Category: Industry]

U.S. Production2023: 850,000 - <1,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesPaint additives and coating additives not described by other categories
General Manufacturing Information · 2 件

Transportation Equipment Manufacturing

Oxirane, 2,2'-[(2,2-dimethyl-1,3-propanediyl)bis(oxymethylene)]bis-: ACTIVE

応用分野 · 3 件

用途エポキシ樹脂の合成中間体、高分子原料、合成樹脂の改良剤

使用Neopentyl Glycol Diglycidyl Ether is used in preparation of aqueous Epoxy curing agents for orange peel-like leveling coatings.

一般的な説明Clear liquid.

調製方法

The ether is made by condensing neopentyl glycol with epichlorohydrin followed by dehydrochlorination with caustic.

上流・下流製品情報

上流原料

2,2-ジメチル-1,3-プロパンジオールエピクロロヒドリン

サプライヤー

関連反応

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化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
ネオペンチルグリコ-ルジグリシジルエ-テル
2,2’[(2,2ジメチル1,3プロパンジイル)ビス(オキシメチレン)]ビス[オキシラン]
アルキレングリコールジグリシジルエーテル
2,2’-{[(2,2-ジメチルプロパ-1,3-ジイル)ジオキシ]ジメチル}ジオキシラン
2,2′-ジメチルメチレンビス(メチレンオキシメチレン)ビスオキシラン
2,2′-[2,2-ジメチル-1,3-プロパンジイルビス(オキシメチレン)]ビスオキシラン
neopentyl
heloxywc68
neopentyl glycol diglycidyl
diglycidyletherofneopentylgylcol
NeopentylGlycolDiglycidylEther>Neopentane glycol Diglycidyl ether
9288EM7AOW2,2'-((2,2-Dimethyl-1,3-propanediyl)bis(oxymethylene))bis(oxirane)Oxirane, 2,2'-((2,2-dimethyl-1,3-propanediyl)bis(oxymethylene))bis-Propane, 1,3-bis(2,3-epoxypropoxy)-2,2-dimethyl-J64.260F2,2-BIS(GLYCIDYLOXYMETHYL)PROPANEDTXCID705707ED-523T

データベース識別子

CAS
17557-23-2、54847-49-3
PubChem CID
28594
DTXSID
DTXSID8025707
ChEMBL
CHEMBL1587512
UNII
9288EM7AOW
EC Number
241-536-7
Nikkaji
J64.260F
屈折率
20 · n20/D 1.457(lit.)
闪点
230 °F · >230 °F
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature
溶解性
Chloroform (Sparingly), Methanol (Slightly)
外見
clear liquid
色
Colorless to Almost colorless
水溶解度
20.5 ℃で0.5~1.0g/100mL · 20.5℃で0.5~1.0g/100mL
安定性
安定。強力な酸化剤、硫酸、重クロム酸塩とは相容れない。可燃性。
InChI
InChI=1S/C11H20O4/c1-11(2,7-12-3-9-5-14-9)8-13-4-10-6-15-10/h9-10H,3-8H2,1-2H3
InChIKey
KUAUJXBLDYVELT-UHFFFAOYSA-N
SMILES
C(OCC1CO1)C(C)(C)COCC1CO1
LogP
0.646 · 0.646 (est)
CAS データベース
17557 · 17557-23-2(CAS DataBase Reference)
EPAの化学物質情報
Neopentyl glycol diglycidyl ether (17557-23-2)

化学的性質

化学的特性colourless liquid

NEOPENTYL GLYCOL DIGLYCIDYL ETHER is a ether-epoxide derivative. The ether being relatively unreactive. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert alcohols to aldehydes or ketones.

Chemical DangersThe substance can presumably form explosive peroxides. Reacts with strong oxidants.
Air and Water ReactionsSlightly soluble in water.
Hazard Classes and Categories · 4 件

Skin Irrit. 2 (99.9%)

Skin irritation - category 2

Flammable liquids - Category 4

Skin Irrit. 2

安全と保護具

Fire Fighting · 2 件

Fires involving this chemical should be controlled with a dry chemical, carbon dioxide, or Halon extinguisher. (NTP, 1992)

Use powder, AFFF, foam, carbon dioxide.

First Aid Measures · 4 件

Fresh air, rest.

Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .

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 · 1 件

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.

Safe StorageSeparated from strong oxidants. Keep in the dark.
Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong 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.

Spillage DisposalCollect leaking and spilled liquid in sealable containers as far as possible. Wash away remainder with plenty of water.
Eye PreventionWear face shield.
Fire PreventionNO open flames. Above 88 °C use a closed system and ventilation.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
Skin PreventionProtective gloves. Protective clothing.
Exposure PreventionPREVENT GENERATION OF MISTS!
Ingestion PreventionDo not eat, drink, or smoke during work.

毒性情報

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Exposure RoutesThe substance can be absorbed into the body by inhalation.
Signs and Symptoms · 3 件

Cough. Sore throat.

Redness.

Redness. Pain.

安全データ

wgk
1
tsca
TSCA listed
rtecs
TX3760000
hs_code
29109000
risk_code
38-43
化審法
(2)-396
消防法
危-4-3-III
hazard_code
Xi
safety_code
24-37
Hazard Classifications
Skin Irrit. 2Skin Sens. 1
ストレージクラス
10 - Combustible liquids
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