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グリシジルイソプロピルエーテル

2-((1-Methylethoxy)methyl)oxirane

HCID 19920
ノートを作成反応を作成見積依頼を出す
印刷プレビュー
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
4016-14-2
標準SMILES
CC(C)OCC1CO1
InChIKey
NWLUZGJDEZBBRH-UHFFFAOYSA-N
分子式
C6H12O2
平均分子量
116.16 g/mol
単同位体質量
116.08372962

概要

Isopropyl glycidyl ether is a colorless liquid. (USCG, 1999)

名称と識別子

優先名称
2-((1-Methylethoxy)methyl)oxirane
IUPAC
2-(propan-2-yloxymethyl)oxirane
現地名
グリシジルイソプロピルエーテル
英語名
Glycidyl isopropyl ether
分子式
C6H12O2
分子量
116.16

名称と別名

Glycidyl isopropyl ether4016-14-2ISOPROPYL GLYCIDYL ETHER(Isopropoxymethyl)oxirane3-Isopropyloxypropylene oxide3-Isopropoxy-1,2-epoxypropaneIsopropyl epoxypropyl ether1,2-Epoxy-3-isopropoxypropaneNCI-C56439((1-Methylethoxy)methyl)oxirane2,3-Epoxypropyl-isopropyl etherOxirane, ((1-methylethoxy)methyl)-
名称をさらに表示
グリシジルイソプロピルエーテル2-(イソプロピルオキシメチル)オキシラン1,2-エポキシ-3-イソプロポキシプロパンイソプロピルグリシジルエーテル2-(イソプロポキシメチル)オキシラン(イソプロポキシメチル)オキシラン(2,3-エポキシプロパン-1-イル)イソプロピルエーテル2-イソプロピルオキシメチルオキシラン2-[(イソプロポキシ)メチル]オキシラン2-イソプロポキシメチルオキシラン(イソプロピルオキシメチル)オキシランイソプロピル(オキシラニルメチル)エーテルイソプロピルグリシジルエテル1,2‐エポキシ‐3‐イソプロポキシプロパン2-(Isopropoxymethyl)oxiraneIPGEAKOS NCG-0053ISOPROPOXYMETHYLOXIRANEisopropylepoxypropylether2-Isopropyloxymethyloxirane
DTXSID6025480Oxirane, [(1-methylethoxy)methyl]-NSC-4127NSC-46562DTXCID7054801V3116630G2-((1-METHYLETHOXY)METHYL)OXIRANE2-[(1-methylethoxy)methyl]oxirane

データベース識別子

CAS
4016-14-2
PubChem CID
19920
DTXSID
DTXSID6025480
ChEMBL
CHEMBL1487011
UNII
1V3116630G
EC Number
223-672-9
Nikkaji
J35.468F

物性

構造計算による物性

XLogP
0.6
極性表面積
21.8 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
3
重原子数
8
形式電荷
0
複雑度
70.9

実験および物理化学的性質

Chemical ClassesFlammable agents - 3rd degree
PolymersPlastics & Rubber -> Glycidyl Ethers
LogP · 2 件

0.5

0.8

Density · 5 件

0.92 (USCG, 1999) - Less dense than water; will float

0.9186 @ 20 °C/4 °C

Relative density (water = 1): 0.92

0.92

0.92

Color/Form · 2 件

MOBILE, COLORLESS LIQUID

Colorless liquid.

Solubility · 4 件

greater than or equal to 100 mg/mL at 66 °F (NTP, 1992)

18.8% IN WATER, SOL IN KETONES & ALCOHOLS

Solubility in water, g/100ml: 19

19%

Flash Point · 5 件

92 °F (NTP, 1992)

33 °C

33 °C c.c.

92 °F

92 °F

Boiling Point · 5 件

261 °F at 760 mmHg (NTP, 1992)

137 °C @ 760 MM HG

137 °C

261 °F

279 °F

Vapor Density · 2 件

4.15 (AIR= 1)

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

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P272, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H360: May damage fertility or the unborn child [Danger Reproductive toxicity]

危険有害性情報

Regulatory Information · 5 件

Hazard Traits - Reproductive Toxicity

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

REACH registered substance: 2,3-epoxypropyl isopropyl ether (EC: 223-672-9)

Isopropyl glycidyl ether IGE: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid
Fire Hazards · 2 件

Special Hazards of Combustion Products: Toxic vapors and gases, such as carbon monoxide, may be released in a fire.

Flammable. Above 33 °C explosive vapour/air mixtures may be formed.

Health HazardsExposure can cause mental confusion and moderate irritation of the eyes, skin, and respiratory tract. Chronic exposure can cause dermatitis and skin sensitization. (USCG, 1999)
Hazards SummaryRepeated or prolonged contact may cause skin sensitization. [ICSC}

化学と産業

用途と製造

Uses · 4 件

Glycidyl ethers are used as reactive diluents in epoxy resins. [LaDou, p. 550]

Plastic Composites Manufacturing [Category: Industry]

STABILIZER FOR ORG COMPD & AS INTERMEDIATE FOR SYNTH OF ETHERS & ESTERS

REACTIVE DILUENT FOR EPOXY RESINS

U.S. Exports · 2 件

(1977) No Data

(1979) No Data

U.S. Imports · 2 件

(1977) No Data

(1979) No Data

U.S. Production · 2 件

(1977) NOT PRODUCED COMMERCIALLY IN US

(1979) NOT PRODUCED COMMERCIALLY IN US

Methods of ManufacturingREACTION OF EPICHLOROHYDRIN WITH ISOPROPYL ALCOHOL FOLLOWED BY REACTION WITH SODIUM HYDROXIDE
General Manufacturing InformationOxirane, 2-[(1-methylethoxy)methyl]-: ACTIVE

応用分野

使用Glycidyl isopropyl ether is a stabilizer of chlorinated solvents, and viscosity reducer of epoxy resins.

一般的な説明Colorless liquid.

調製方法

Isopropyl glycidyl ether is manufactured through the condensation of isopropyl alcohol and epichlorohydrin with subsequent dehydrochlorination with caustic to form the epoxy ring.

上流・下流製品情報

上流原料

ナトリウムエピクロロヒドリン

関連反応

10 件
反応記録を作成
HRID 116168 の反応式
HRID 116168反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 259267 の反応式
HRID 259267反応物としてuspto-grants-1977_07
HRID 291527 の反応式
HRID 291527反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 376917 の反応式
HRID 376917反応物としてuspto-grants-2000_02
HRID 1050889 の反応式
HRID 1050889反応物としてuspto-grants-2016_07
HRID 1060352 の反応式
HRID 1060352反応物としてuspto-grants-2003_02
HRID 1665366 の反応式
HRID 1665366反応物としてuspto-grants-2011_10
HRID 2302152 の反応式
HRID 2302152反応物としてuspto-grants-2002_08
1 / 2 ページ

化合物ノート

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Relative vapor density (air = 1): 4.15

Odor ThresholdOdor Threshold Low: 300.0 [ppm]
Vapor Pressure · 6 件

9.4 mmHg at 77 °F (NTP, 1992)

9.4 [mmHg]

9.4 MM HG @ 25 °C

Vapor pressure, kPa at 25 °C: 1.25

9 mmHg at 77 °F

(77 °F): 9 mmHg

Physical Description · 5 件

Isopropyl glycidyl ether is a colorless liquid. (USCG, 1999)

Colorless liquid; [NIOSH]

COLOURLESS LIQUID.

Colorless liquid.

Colorless liquid.

物理化学的性質

沸点
131 · 131-132 °C (lit.)
比重(密度)
0.924 g/mL · 0.924 g/mL at 25 °C (lit.)
蒸気圧
13 hPa · 13 hPa (25 °C)
屈折率
20 · n20/D 1.410(lit.)
闪点
92 °F · 92 °F
貯蔵温度
30 °C · Store below +30°C.
溶解性
188 g/リットル · 188g/リットル
外見
無色の液体
色
Colorless to Almost colorless
PH
7 · 7 (188g/l, H2O, 20℃)
水溶解度
19 g/L · 19g/L at 25℃
BRN
103028 · 103028
安定性
安定。可燃性。強力な酸化剤とは相容れない。
InChI
1S/C6H12O2/c1-5(2)7-3-6-4-8-6/h5-6H,3-4H2,1-2H3
InChIKey
NWLUZGJDEZBBRH-UHFFFAOYSA-N
SMILES
CC(C)OCC1CO1
LogP
0.8 at · 0.8 at 25℃
CAS データベース
4016 · 4016-14-2(CAS DataBase Reference)
EPAの化学物質情報
Isopropyl glycidyl ether (4016-14-2)

化学的性質

化学的特性colourless liquid

Reactive GroupEthers
UN ClassificationUN Hazard Class: 3; UN Pack Group: III
Reactivity AlertsHighly Flammable
Reactivity Profile · 1 件

Ethers can act as bases. 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.

Chemical DangersThe substance can presumably form explosive peroxides upon exposure to air or light. Reacts violently with strong oxidants, amines and acids.
Flammable LimitsClass IC Flammable Liquid: Fl.P. at or above 73 °F and below 100 °F.
Air and Water ReactionsHighly flammable. Water soluble.

安全と保護具

Fire Fighting · 2 件

Fire Extinguishing Agents Not to Be Used: Water.

Use powder, AFFF, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 件

Fresh air, rest. Half-upright position. Refer for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

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 · 2 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.

(General first aid procedures)

Safe StorageFireproof. Separated from strong oxidants and acids. Cool. Dry. Keep in the dark. Well closed.
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. 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 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 Disposal · 1 件

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking liquid in sealable containers. Carefully collect remainder. Then store and dispose of according to local regulations.

Preventive Measures · 3 件

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

The worker should immediately wash the skin when it becomes contaminated.

Work clothing that becomes wet should be immediately removed due to its flammability hazard.

Isolation and EvacuationExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Eye PreventionWear safety spectacles or eye protection in combination with breathing protection.
Fire PreventionNO open flames, NO sparks and NO smoking. Above 33 °C use a closed system, ventilation and explosion-proof electrical equipment.
Inhalation RiskA harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
Skin PreventionProtective gloves.

毒性情報

Target OrgansEyes, skin, respiratory system, blood, reproductive system
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Exposure Routes · 2 件

The substance can be absorbed into the body by inhalation of its vapour.

inhalation, ingestion, skin and/or eye contact

Signs and Symptoms · 4 件

Burning sensation. Cough. Dizziness. Headache. Laboured breathing. Shortness of breath. Sore throat. Symptoms may be delayed.

Redness. Pain.

Redness. Pain.

irritation eyes, skin, upper respiratory system; skin sensitization; possible hematopoietic, reproductive effects

Human Toxicity Excerpts · 2 件

NO UNTOWARD EFFECTS REPORTED OTHER THAN SLIGHT SKIN IRRITATION ON REPEATED CONTACT.

SLIGHTLY TOXIC FOLLOWING INGESTION OR RESP EXPOSURE. PRACTICALLY NONTOXIC FOLLOWING ABSORPTION THROUGH SKIN. MODERATELY IRRITATING TO EYES & SKIN & CAPABLE OF CAUSING SKIN SENSITIZATION. NO RADIOMIMETIC EFFECTS DEMONSTRATED.

Non-Human Toxicity Excerpts · 5 件

...TESTED BY APPLICATION OF DROP TO RABBIT EYES HAS BEEN FOUND TO CAUSE MODERATE REVERSIBLE CORNEAL INJURY. VAPOR IS MODERATE EYE IRRITANT.

SKIN IRRITATION. SCORE OF 4.3...BY DRAIZE TECHNIQUE. ...CLASSIFIED AS MODERATELY IRRITATING. REPEATED 1-HR EXPOSURES RESULT IN SOME TOLERANCE & SCORING OF 2.2...AFTER 20 APPLICATIONS.

INCOORDINATION & DEPRESSED MOTOR ACTIVITY PRECEDING RESP DEPRESSION OCCUR ON ABSORPTION. ... RABBITS ADMIN COMPD PERCUTANEOUSLY SHOWED ALTERED PHYSIOLOGY ONLY @ HIGH DOSES... RESP EXPOSURE PRODUCED TYPICAL CHEMICAL PNEUMONIA IN LEVELS EXCEEDING 500 PPM.

RATS EXPOSED @ 400 PPM...7 HR DAILY FOR 50 DAYS, SHOWED SIGNIFICANTLY GREATER DECR IN MEAN WEEKLY WT GAIN THAN CONTROLS. @ NECROPSY, SOME DECR IN PERITONEAL FAT...& LUNGS OF 4 OF 10 RATS APPEARED...EMPHYSEMATOUS; 2 SHOWED MOTTLING OF LIVER. 1 OF LATTER SHOWED CONFLUENT PNEUMONIA. ...OCULAR IRRITATION & RESP DISTRESS...

...ONLY OBSERVED PHARMACOLOGICAL PROPERTY IS THAT OF CENTRAL NERVOUS SYSTEM DEPRESSION. CAUSE OF DEATH: CENTRAL DEPRESSION OF RESPIRATION.

Toxicity DataLC50 (rat) = 1,100 ppm/8H

安全データ

OEL
Ceiling: 50 ppm (240 mg/m3) [15-minute]
wgk
2
IDLA
400 ppm
tsca
TSCA listed
rtecs
TZ3500000
ridadr
UN 3271 3/PG 3
毒性
LD50 orally in Rabbit: 4200 mg/kg LD50 dermal Rabbit 9650 mg/kg
hs_code
2910 90 00
risk_code
10-19-36/37/38-43
消防法
危-4-2-III
hazard_code
Xi
safety_code
16-26-36/37
hazard_class
3
packing_group
III
自然発火温度
290 °C
Hazard Classifications
Acute Tox. 3 InhalationFlam. Liq. 3Muta. 2Resp. Sens. 1Skin Sens. 1
ストレージクラス
3 - Flammable liquids
有毒物質データの
4016-14-2(Hazardous Substances Data)
イソプロピルアルコール

下流製品

1-Amino-3-isopropoxy-propan-2-ol