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2,3-Epoxypropylisopropylether

2-((1-Methylethoxy)methyl)oxirane

HCID 19920
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Grundinformationen

CAS
4016-14-2
Standard-SMILES
CC(C)OCC1CO1
InChIKey
NWLUZGJDEZBBRH-UHFFFAOYSA-N
Summenformel
C6H12O2
Durchschnittliche Molmasse
116,16 g/mol
Monoisotopische Masse
116,08372962

Überblick

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

Namen und Bezeichner

Bevorzugter Name
2-((1-Methylethoxy)methyl)oxirane
IUPAC
2-(propan-2-yloxymethyl)oxirane
Lokaler Name
2,3-Epoxypropylisopropylether
Englischer Name
Glycidyl isopropyl ether
Summenformel
C6H12O2
Molmasse
116.16

Namen und Synonyme

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)-
Weitere Namen anzeigen
2-(Isopropoxymethyl)oxiraneIPGEAKOS NCG-0053ISOPROPOXYMETHYLOXIRANEisopropylepoxypropylether2-Isopropyloxymethyloxirane
DTXSID6025480Oxirane, [(1-methylethoxy)methyl]-NSC-4127NSC-46562DTXCID7054801V3116630G2-((1-METHYLETHOXY)METHYL)OXIRANE2-[(1-methylethoxy)methyl]oxirane

Datenbank-Bezeichner

CAS
4016-14-2
PubChem CID
19920
DTXSID

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,6
Polarare Oberfläche (TPSA)
21,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
8
Formalladung
0
Komplexität
70,9

Experimentelle und physikochemische Eigenschaften

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

0.5

0.8

Density · 5 Einträge

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 Einträge

MOBILE, COLORLESS LIQUID

Colorless liquid.

Solubility · 4 Einträge

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 Einträge

92 °F (NTP, 1992)

33 °C

33 °C c.c.

92 °F

92 °F

Boiling Point · 5 Einträge

261 °F at 760 mmHg (NTP, 1992)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

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]

Gefahrenhinweise

Regulatory Information · 5 Einträge

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 Einträge

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)

Chemie und Industrie

Verwendung und Herstellung

Uses · 4 Einträge

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 Einträge

(1977) No Data

(1979) No Data

U.S. Imports · 2 Einträge

(1977) No Data

(1979) No Data

U.S. Production · 2 Einträge

(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

Anwendungen

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

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Natrium1-Chlor-2,3-epoxypropanPropan-2-ol

Nachgelagerte Produkte

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

Zugehörige Reaktionen

10
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 116168
HRID 116168als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 259267
HRID 259267als Eduktuspto-grants-1977_07
Reaktionsgleichung von HRID 291527
HRID 291527als EduktTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaktionsgleichung von HRID 376917
HRID 376917als Eduktuspto-grants-2000_02
Reaktionsgleichung von HRID 1050889
HRID 1050889als Eduktuspto-grants-2016_07
Reaktionsgleichung von HRID 1060352
HRID 1060352als Eduktuspto-grants-2003_02
Reaktionsgleichung von HRID 1665366
HRID 1665366als Eduktuspto-grants-2011_10
Reaktionsgleichung von HRID 2302152
HRID 2302152als Eduktuspto-grants-2002_08
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DTXSID6025480
ChEMBL
CHEMBL1487011
UNII
1V3116630G
EC Number
223-672-9
Nikkaji
J35.468F

137 °C @ 760 MM HG

137 °C

261 °F

279 °F

Vapor Density · 2 Einträge

4.15 (AIR= 1)

Relative vapor density (air = 1): 4.15

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

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 Einträge

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

Colorless liquid; [NIOSH]

COLOURLESS LIQUID.

Colorless liquid.

Colorless liquid.

Physikochemische Eigenschaften

Siedepunkt
131 · 131-132 °C (lit.)
Dichte
0.924 g/mL · 0.924 g/mL at 25 °C (lit.)
Dampfdruck
13 hPa · 13 hPa (25 °C)
Brechungsindex
20 · n20/D 1.410(lit.)
Flammpunkt
92 °F · 92 °F
storage temp.
30 °C · Store below +30°C.
Löslichkeit
188 g/l · 188g/l
Aggregatzustand
Colorless liquid
Farbe
Colorless to Almost colorless
PH
7 · 7 (188g/l, H2O, 20℃)
Wasserlöslichkeit
19 g/L · 19g/L at 25℃
BRN
103028 · 103028
Stabilität
Stable. Flammable. Incompatible with strong oxidizing agents.
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 Datenbank
4016 · 4016-14-2(CAS DataBase Reference)
EPA chemische Informationen
Isopropyl glycidyl ether (4016-14-2)
Hazards SummaryRepeated or prolonged contact may cause skin sensitization. [ICSC}
Reactive GroupEthers
UN ClassificationUN Hazard Class: 3; UN Pack Group: III
Reactivity AlertsHighly Flammable
Reactivity Profile · 1 Eintrag

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.

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

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 Einträge

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 Einträge

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 Eintrag

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 Eintrag

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 Einträge

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.

Toxikologische Informationen

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 Einträge

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

inhalation, ingestion, skin and/or eye contact

Signs and Symptoms · 4 Einträge

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 Einträge

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 Einträge

...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

Sicherheitsdaten

OEL
Ceiling: 50 ppm (240 mg/m3) [15-minute]
wgk
2
IDLA
400 ppm
tsca
TSCA listed
ridadr
UN 3271 3/PG 3
hs_code
2910 90 00
RTECS-Nr.
TZ3500000
risk_code
10-19-36/37/38-43
Toxizität
LD50 orally in Rabbit: 4200 mg/kg LD50 dermal Rabbit 9650 mg/kg
hazard_code
Xi
safety_code
16-26-36/37
hazard_class
3
packing_group
III
Speicherklasse
3 - Flammable liquids
Giftige Stoffe Daten
4016-14-2(Hazardous Substances Data)
Hazard Classifications
Acute Tox. 3 InhalationFlam. Liq. 3Muta. 2Resp. Sens. 1Skin Sens. 1
Selbstentzündungstemperatur
290 °C