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2-Isopropoxy-ethanol

Isopropylethanediol

HCID 7996
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Grundinformationen

CAS
109-59-1
Standard-SMILES
CC(C)OCCO
InChIKey
HCGFUIQPSOCUHI-UHFFFAOYSA-N
Summenformel
C5H12O2
Durchschnittliche Molmasse
104,15 g/mol
Monoisotopische Masse
104,08372962

Überblick

Ethylene glycol isopropyl ether appears as a clear liquid. An irritant.

Namen und Bezeichner

Bevorzugter Name
Isopropylethanediol
IUPAC
2-propan-2-yloxyethanol
Lokaler Name
2-Isopropoxy-ethanol
Englischer Name
2-Isopropoxyethanol
Summenformel
C5H12O2
Molmasse
104.15

Namen und Synonyme

Isopropylethanediol2-(1-Methylethoxy)ethanolRefChem:7920992-Isopropoxyethanol109-59-1Dowanal EiPATIsopropyl cellosolveIsopropyl oxitolEthylene glycol monoisopropyl etherIsopropyl glycolEthylene glycol isopropyl etherISOPROPOXYETHANOL
Weitere Namen anzeigen
Ethylene glycol monoisopropyl2-(1-methylethoxy)-Ethanolucaracdowanoleipatdowanaleipat
Ucar ACEthanol, 2-isopropoxy-2-propan-2-yloxyethanolEthanol, 2-(1-methylethoxy)-Dowanol EiPAT2-Isopropoxy-ethanolMonoisopropyl ether of ethylene glycolDTXSID4047466

Datenbank-Bezeichner

CAS
109-59-1
PubChem CID
7996
DTXSID
DTXSID4047466
ChEMBL
CHEMBL3187409
UNII
9L4RL5EKZC
EC Number
203-685-6
Nikkaji
J82.343K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,1
Polarare Oberfläche (TPSA)
29,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
7
Formalladung
0
Komplexität
35,1

Experimentelle und physikochemische Eigenschaften

Chemical ClassesFlammable agents - 2nd degree
SolventsSolvents -> Glycol Ethers (E Series)
SpringerMaterials PropertiesBoiling point
LogP · 2 Einträge

0.05

0.05

Odor · 2 Einträge

MILD ETHEREAL ODOR

Mild, ethereal odor.

TasteBITTER TASTE
Density · 4 Einträge

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

0.9030 @ 20 °C/4 °C

Relative density (water = 1): 0.903 (20 °C)

0.90

Color/Form · 2 Einträge

COLORLESS LIQUID

Colorless liquid.

Solubility · 4 Einträge

Miscible (NIOSH, 2024)

SOL IN ALL PROP IN WATER, ALC, ETHER; SOL IN ACETONE

Solubility in water, g/100ml at 25 °C: 100

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

H312: Harmful in contact with skin [Warning Acute toxicity, dermal]

P261, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P321, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 0.2% (1 of 648) of reports.

Warning

H226 (41.7%): Flammable liquid and vapor [Warning Flammable liquids]

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Ethanol, 2-(1-methylethoxy)-

REACH registered substance: 2-isopropoxyethanol (EC: 203-685-6)

Ethanol, 2-(1-methylethoxy)-: HSNO Approval: HSR001158 Approved with controls

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.)

Other Safety InformationIMAP assessments - 2-(1-methylethoxy)ethanol and its acetate: Human health tier II assessment
DOT LabelPoison Flammable Liquid
Fire Hazards · 2 Einträge

Special Hazards of Combustion Products: Emits toxic fumes when heated upon decomposition. (USCG, 1999)

Flammable. Above 44 °C explosive vapour/air mixtures may be formed.

Fire PotentialMODERATE; CAN REACT WITH OXIDIZING MATERIALS
Health HazardsMay be harmful by inhalation, ingestion or skin absorption. May cause skin and eye irritation. (USCG, 1999)

Chemie und Industrie

Pharmakologische Informationen

Metabolism/MetabolitesMAJOR URINARY METABOLITES OF (14)C-LABELED ISOPROPYL OXITOL (0.993 MG, IP) WERE ISOPROPOXYACETIC ACID, N-ISOPROPOXYACETYLGLYCINE, & ETHANEDIOL (ACCOUNTING FOR 30, 46 & 13% OF URINARY RADIOACTIVITY).
Absorption, Distribution and Excretion · 2 Einträge

THE MATERIAL MAY READILY BE ABSORBED THROUGH THE INTACT SKIN...

WITHIN 24 HR AFTER (14)C-LABELED ISOPROPYL OXITOL (0.993 MG, IP) ADMIN 71% OF THE RADIOACTIVITY HAD BEEN EXCRETED IN THE URINE & 9% IN THE EXPIRED AIR.

Verwendung und Herstellung

Uses · 3 Einträge

Used as a solvent, particularly in paints and lacquers; [ACGIH]

Painting (Solvents) [Category: Paint]

COMPONENT OF LACQUERS & OTHER COATINGS; AS SOLVENT FOR RESINS; DYES FOR TEXTILES

Methods of Manufacturing · 1 Eintrag

...MONOALKYL ETHERS ARE USUALLY PRODUCED BY REACTING ETHYLENE OXIDE WITH ALCOHOL OF CHOICE.../OR/ BY DIRECT ALKYLATION OF...GLYCOL WITH AN ALKYLATING AGENT...AB BOESE JR ET AL IN GURME & JOHNSTON, EDITORS, GLYCOLS (AMER CHEM SOC MONOGRAPH, SERIES 114) REINHOLD, NY, 1952.

General Manufacturing Information · 2 Einträge

Ethanol, 2-(1-methylethoxy)-: ACTIVE

IN THE PRESENCE OF GLUCOSE, 10% 2-ISOPROPOXYETHANOL PREVENTED SPORE GERMINATION & MYCELIAL GROWTH OF C RESINAE, A PROBLEM ORGANISM IN JET FUEL.

Anwendungen · 1 Eintrag

Verwenden2-Isopropoxyethanol was used to study the products of the gas-phase reactions of OH radical with n-butyl methyl ether and 2-isopropoxyethanol in the presence of NO. 2-Isopropoxyethanol was used to develop methodology for evaluating electromagnetic sensor performance in nonrelaxing and nonconducting (e.g., sandy soil) media

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Reaktionsgleichung von HRID 126420
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Reaktionsgleichung von HRID 180896
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Miscible

Flash Point · 5 Einträge

91.4 °F (USCG, 1999)

33 °C

92 °F (33 °C) OC

44 °C c.c.

(oc) 92 °F

Boiling Point · 4 Einträge

285.8 °F at 760 mmHg (USCG, 1999)

144 °C @ 743 MM HG

at 99kPa: 139.5-144.5 °C

283 °F

Melting Point-60 °C

Physikochemische Eigenschaften

Schmelzpunkt
-60 °C · -60 °C
Siedepunkt
42 · 42-44 °C13 mm Hg(lit.)
Dichte
0.903 g/mL · 0.903 g/mL at 25 °C(lit.)
Dampfdruck
5.99 hPa · 5.99 hPa (25 °C)
Brechungsindex
20 · n20/D 1.41(lit.)
Flammpunkt
114 °F · 114 °F
storage temp.
30 °C · Store below +30°C.
Löslichkeit
100 g/l · >100g/l soluble
pka
14.47 · 14.47±0.10(Predicted)
Aggregatzustand
Liquid
Farbe
Colorless to Almost colorless
Explosionsgrenze
1.6 · 1.6-13.0%(V)
Wasserlöslichkeit
It is soluble in water.
BRN
1732184 · 1732184
Henry's Law Constant
4.8 · 4.8×100 mol/(m3Pa) at 25℃, Johanson and Dynésius (1988)
Stabilität
Stable. Incompatible with strong oxidizing agents. Combustible.
InChI
1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3
InChIKey
HCGFUIQPSOCUHI-UHFFFAOYSA-N
SMILES
CC(C)OCCO
LogP
0.43 at · 0.43 at 20℃
CAS Datenbank
109 · 109-59-1(CAS DataBase Reference)
EPA chemische Informationen
Isopropoxyethanol (109-59-1)
Hazards Summary
Osmotic fragility of rat erythrocytes markedly increased at exposures of 200 ppm; [ACGIH] Inhalation of high concentrations can cause CNS depression; [HSDB] May cause skin and eye irritation; [CAMEO] See Glycol ethers.
Reactive GroupAlcohols and Polyols
EC ClassificationSymbol: Xn; R: 20/21-36; S: (2)-24/25
UN ClassificationUN Hazard Class: 3; UN Pack Group: III
Reactivity AlertsHighly Flammable
Reactivity Profile · 1 Eintrag

ETHYLENE GLYCOL ISOPROPYL ETHER acts both as an alcohol and ether. May react violently with strong oxidizing agents. May generate flammable and/or toxic gases with alkali metals, nitrides, and other strong reducing agents. May initiate the polymerization of isocyanates and epoxides.

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

Fire Extinguishing Agents: Water, carbon dioxide, dry chemical, alcohol foam. (USCG, 1999)

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

First Aid Measures · 4 Einträge

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 · 2 Einträge

Excerpt from NIOSH Pocket Guide for 2-Isopropoxyethanol:

(General first aid procedures)

Safe StorageCool. Fireproof. Separated from strong oxidants.
Exposure Control and Personal Protection10.0 [ppm]
Fire Fighting Procedures"ALCOHOL" FOAM. WATER MAY BE INEFFECTIVE
Storage ConditionsSEE ETHERS. ETHERS SHOULD NOT BE STORED NEAR POWERFUL OXIDIZERS OR IN AREAS OF HIGH FIRE HAZARD. THEY SHOULD BE KEPT COOL AND THE CONTAINERS ELECTRICALLY GROUNDED TO AVOID SPARKS. /ETHERS/
Nonfire Spill ResponseExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Spillage Disposal · 1 Eintrag

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Remove all ignition sources. Ventilation. Collect leaking and spilled liquid in sealable containers as far as possible.

Preventive Measures · 4 Einträge

SEE ETHERS. ONLY ELECTRICAL EQUIPMENT OF EXPLOSION-PROOF TYPE (GROUP C CLASSIFICATION) IS PERMITTED TO BE OPERATED IN ETHER AREAS. /ETHERS/

...ADVISABLE TO PROTECT PERSONNEL BY ENCLOSING PROCESS OR PROVIDING LOCAL EXHAUST VENTILATION. MAIN HAZARD...THAT OF INGESTION, CAN USUALLY BE PREVENTED BY KEEPING /CHEM/ IN PROPERLY LABELLED CONTAINERS. /GLYCOL & DERIV/

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 131 [Flammable Liquids - Toxic]:
Eye PreventionWear safety goggles.

Toxikologische Informationen

Target OrgansEyes, skin, respiratory system, blood
Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure Routes · 2 Einträge

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

inhalation, skin absorption, ingestion, skin and/or eye contact

Signs and Symptoms · 5 Einträge

Cough.

MAY BE ABSORBED! Redness.

Redness. Pain.

Nausea.

In Animals: irritation eyes, skin; hematuria (blood in the urine), anemia, pulmonary edema

Human Toxicity Excerpts · 5 Einträge

SYMPTOMATOLOGY: 1. CENTRAL NERVOUS DEPRESSION CHARACTERIZED BY TRANSIENT EXHILARATION, DRUNKENNESS, ATAXIA, VERTIGO PROGRESSING TO STUPOR &...COMA, WITH OR WITHOUT TRANSIENT PERIOD OF CONVULSIONS. DEATH FROM RESP ARREST OR...CARDIOVASCULAR COLLAPSE... /ETHYLENE GLYCOL/

SYMPTOMATOLOGY: 2. NAUSEA, VOMITING, ABDOMINAL PAIN, DEHYDRATION, WEAKNESS, MUSCLE TENDERNESS. 3. HYPERPNEA MAY INDICATE EITHER SEVERE METABOLIC ACIDOSIS OR PULMONARY EDEMA. 4. ...CARPOPEDAL SPASM OR OTHER SIGNS OF HYPOCALCEMIC TETANY. /ETHYLENE GLYCOL/

SYMPTOMATOLOGY: 5. LUMBAR PAIN, ALBUMINURIA, HEMATURIA, OLIGURIA PROGRESSING TO ANURIA. 6. ACUTE RENAL FAILURE WITH UREMIA, PERIPHERAL EDEMA, ASCITES, PULMONARY EDEMA, DROWSINESS, CYANOSIS, COMA, & DEATH IN 7 TO 10 DAYS. /ETHYLENE GLYCOL/

SEE GLYCOLS. THERE IS SOME EVIDENCE THAT THE GLYCOL ETHERS ARE MORE TOXIC THAN OTHER MEMBERS OF THE GLYCOL GROUP. /GLYCOLS/

For more Human Toxicity Excerpts (Complete) data for ISOPROPOXYETHANOL (7 total), please visit the HSDB record page.

Non-Human Toxicity Excerpts · 5 Einträge

THE MATERIAL IS APPRECIABLY IRRITATING TO EYES OF RABBITS CAUSING INJURY TO CONJUNCTIVAL MEMBRANES, CORNEA, &...SOME IRITIS. HEALING APPEARED TO BE COMPLETE WITHIN A WEEK.

THE MATERIAL IS NOT APPRECIABLE IRRITATING TO THE SKIN UNDER ORDINARY CONDITIONS OF EXPOSURE, BUT IF IT IS CONFINED FOR PROLONGED PERIODS, IT MAY CAUSE APPRECIABLE IRRITATION, EVEN A BURN. ...THE MATERIAL MAY READILY BE ABSORBED THROUGH THE INTACT SKIN IN LETHAL AMT.

FOUR/FOUR RATS DIED DURING 7 HR OF EXPOSURE TO VAPORS AT ESSENTIALLY SATURATED CONCN, AT 100 °C & COOLED TO ROOM TEMP. AFTER 3 HR, BLOOD APPEARED IN URINE; 1 RAT AUTOPSIED AFTER EXPOSURE HAD BLACK & SEVERELY ENLARGED KIDNEYS. /FROM TABLE/

TWO/THREE RATS DIED DURING 4 HR OF EXPOSURE TO VAPORS AT ESSENTIALLY SATURATED CONCN. BLOODY URINE WAS PASSED IMMEDIATELY AFTER EXPOSURE. THERE WAS EXCESS URINE. THREE DAYS AFTER EXPOSURE THE KIDNEYS WERE SEVERELY NECROTIC AND DARK IN COLOR. /FROM TABLE/

For more Non-Human Toxicity Excerpts (Complete) data for ISOPROPOXYETHANOL (10 total), please visit the HSDB record page.

Probable Routes of Human Exposure · 2 Einträge

NO REPORTS OF ADVERSE EFFECTS FROM THE HANDLING OR USE OF ETHYLENE GLYCOL MONOISOPROPYL ETHER HAVE BEEN MADE. ...THIS MAY BE BECAUSE OF ITS LIMITED USE TO DATE.

...NO DATA AVAILABLE THAT WOULD ALLOW THE ESTABLISHMENT OF A HYGIENIC STANDARD FOR REPEATED EXPOSURE TO VAPORS. IN VIEW OF HIGH TOXICITY.../TO/ ANIMALS, IT WOULD SEEM...PRUDENT TO TAKE PARTICULAR CARE TO PREVENT ALL POSSIBLE EXPOSURE OF HUMAN BEINGS TO THIS MATERIAL...

Toxicity DataLC50 (rat) = 3,100 mg/m3/4h

Sicherheitsdaten

wgk
1
tsca
TSCA listed
ridadr
UN 2929 6.1/PG 2
hs_code
2909 44 00
RTECS-Nr.
KL5075000
risk_code
20/21-36
Toxizität
LD50 orally in Rabbit: 5111 mg/kg LD50 dermal Rabbit 1445 mg/kg
hazard_code
Xn
safety_code
24/25
hazard_class
3
packing_group
III
Speicherklasse
3 - Flammable liquids
Giftige Stoffe Daten
109-59-1(Hazardous Substances Data)
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Flam. Liq. 3Skin Irrit. 2
Selbstentzündungstemperatur
240 °C

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