StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.8.0
  1. Startseite
  2. /Verbindung

Isopropylcarbamat

Isopropyl carbamate

HCID 15628
Neue NotizNeue ReaktionAnfrage stellen
Druckvorschau

Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen

GrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
1746-77-6
Standard-SMILES
CC(C)OC(N)=O
InChIKey
OVPLZYJGTGDFNB-UHFFFAOYSA-N
Summenformel
C4H9NO2
Durchschnittliche Molmasse
103,12 g/mol
Monoisotopische Masse
103,06332853

Namen und Bezeichner

Bevorzugter Name
Isopropyl carbamate
IUPAC
propan-2-yl carbamate
Lokaler Name
Isopropylcarbamat
Englischer Name
CARBAMIC ACID ISOPROPYL ESTER
Summenformel
C4H9NO2
Molmasse
103.12

Namen und Synonyme

ISOPROPYL CARBAMATE1746-77-6propan-2-yl carbamateCarbamic acid, 1-methylethyl esterCarbamic acid, isopropyl esterIsopropyl-N-carbamateHSDB 2596Isopropylester kyseliny karbaminoveIsopropylester kyseliny karbaminove [Czech]EINECS 217-127-410VF1I9JWINSC 60539
Weitere Namen anzeigen
Isopropyl Carbamate >Carbamic acid isopropylChlorpropham Impurity 4CARBAMIC ACID ISOPROPYL ESTERcarbamicacid,1-methylethylesterisopropylesterkyselinykarbaminove
BRN 1743047OVPLZYJGTGDFNB-UHFFFAOYSA-ISOPROPYL CARBAMATE [HSDB]NSC-60539DTXSID90517954-03-00-00053 (Beilstein Handbook Reference)IsopropylNcarbamateRefChem:792161

Datenbank-Bezeichner

CAS
1746-77-6
PubChem CID
15628
DTXSID
DTXSID9051795
UNII
10VF1I9JWI
EC Number
217-127-4
Nikkaji
J3.678A

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
0,3
Polarare Oberfläche (TPSA)
52,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
7
Formalladung
0
Komplexität
70,1

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Carbamic Acid Esters
SpringerMaterials PropertiesSurface tension
Density0.9951 AT 66 °C
Color/FormNEEDLES
SolubilityVery soluble in water, alcohol, and ether.
Boiling Point183 °C
DecompositionWhen heated to decomposition it emits toxic fumes of NOx.
Melting Point93 °C
Vapor Pressure0.16 [mmHg]
Physical DescriptionSolid; [HSDB]

Physikochemische Eigenschaften

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 · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazards SummaryA mutagen and tumorigen; Causes somnolence in subcutaneous, lethal-dose studies of mice; [RTECS] May cause irritation; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheit und Schutzausrüstung

Disposal Methods · 1 Eintrag

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Toxikologische Informationen

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 18(SRC), determined from a structure estimation method(2), indicates that isopropyl carbamate is expected to have very high mobility in soil(SRC). Volatilization of isopropyl carbamate from moist soil surfaces is not expected to be important(SRC) given an estimated Henry's Law constant of 7.0X10-8 atm-cu m/mole(SRC), using a fragment constant estimation method(3).

Chemie und Industrie

Verwendung und Herstellung

U.S. Production(1972) NEGLIGIBLE
Methods of ManufacturingPOSSIBLY BY REACTION OF ISOPROPYL CHLOROFORMATE AND AMMONIA
General Manufacturing InformationCarbamic acid, 1-methylethyl ester: ACTIVE

Zugehörige Reaktionen

9
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 109767
HRID 109767als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 572342
HRID 572342als Eduktuspto-grants-2015_05
Reaktionsgleichung von HRID 628946
HRID 628946als Eduktuspto-grants-2016_04
Reaktionsgleichung von HRID 882225
HRID 882225als Eduktuspto-grants-2015_03
Reaktionsgleichung von HRID 2041734
HRID 2041734als Eduktuspto-grants-2013_11
Reaktionsgleichung von HRID 2049494
HRID 2049494als Eduktuspto-grants-1980_04
Reaktionsgleichung von HRID 2159223
HRID 2159223als EduktTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaktionsgleichung von HRID 2201323
HRID 2201323als Eduktuspto-grants-2016_06
Seite 1 von 2

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
Weitere Aktionen
Neue NotizNeue ReaktionAnfrage stellen
Schmelzpunkt
94 °C · 94°C
Siedepunkt
183 °C · 183 °C
Dichte
1.01 · 1.010
Brechungsindex
1.4203 · 1.4203 (estimate)
Flammpunkt
90 ℃ · 90℃
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
Wasserlöslichkeit
Completely soluble in water
Aggregatzustand
powder to crystal
pka
13.68 · 13.68±0.50(Predicted)
Farbe
White to Almost white
Henry's Law Constant
1.4 · 1.4×102 mol/(m3Pa) at 25℃, HSDB (2015)
CAS Datenbank
1746 · 1746-77-6
EPA chemische Informationen
1 · Carbamic acid, 1-methylethyl ester (1746-77-6)

AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 18(SRC), determined from a structure estimation method(2), indicates that isopropyl carbamate is not expected to adsorb to suspended solids and sediment in water(SRC). Isopropyl carbamate is not expected to volatilize from water surfaces(3,SRC) based on an estimated Henry's Law constant of 7.0X10-8 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 1.2(3,SRC), from an estimated log Kow(6,SRC), suggests that bioconcentration in aquatic organisms is low(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), isopropyl carbamate, which has an estimated vapor pressure of 0.17 mm Hg at 25 °C(2,SRC), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase isopropyl carbamate is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 1.3 days(3,SRC).

Soil Adsorption/Mobility · 1 Eintrag

Using a structure estimation method based on molecular connectivity indices(1), the Koc for isopropyl carbamate was estimated to be 18(SRC). According to a recommended classification scheme(2), this estimated Koc value suggests that isopropyl carbamate is expected to have very high mobility in soil(SRC).

Environmental Bioconcentration · 1 Eintrag

An estimated BCF of 1.2 was calculated for isopropyl carbamate(SRC), using an estimated log Kow of 0.40(1,SRC) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF suggests that bioconcentration in aquatic organisms is low(SRC).

Volatilization from Water/Soil · 1 Eintrag

The Henry's Law constant for isopropyl carbamate is estimated as 7.0X10-8 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that isopropyl carbamate will be essentially nonvolatile from water surfaces(2,SRC). Isopropyl carbamate's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces is not expected to occur(SRC).

Non-Human Toxicity Excerpts · 1 Eintrag

ISOPROPYL CARBAMATE IS AMONG A GROUP OF CARBAMATES TESTED FOR MUTAGENIC PROPERTIES BY USING BACILLUS SUBTILIS. /SRP: WHERE HIGH CONCN OF CARBAMATES MARKEDLY LOWERED VIABILITY, THE MUTATION RATE APPEARED ELEVATED. HOWEVER, ANALYSIS OF MUTATION DATA SHOWED THAT NONE OF THE CARBAMATES TESTED WERE MUTAGENIC AT THE INDOLE LOCUS/.

Environmental Abiotic Degradation · 1 Eintrag

The rate constant for the vapor-phase reaction of isopropyl carbamate with photochemically-produced hydroxyl radicals has been derived as 1.2X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 1.3 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC). Purely aliphatic carbamates are expected to be resistant to hydrolysis under environmental conditions(2). A base-catalyzed second-order rate constant of 6.6X10-5 L/mol-sec(SRC) was estimated using a structure estimation method(2); this corresponds to half-lives of 3300 and 330 years at pH values of 7 and 8, respectively(2,SRC).

Environmental Fate/Exposure Summary · 1 Eintrag

In air, isopropyl carbamate is expected to exist solely as a vapor in the ambient atmosphere based on an estimated vapor pressure of 0.17 mm Hg. Vapor-phase isopropyl carbamate will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals with an estimated half-life of 1.3 days. In soil, an estimated Koc of 18 suggests that isopropyl carbamate is expected to have very high mobility. Volatilization from moist soil surfaces is not expected based on an estimated Henry's Law constant of 7.0X10-8 atm-cu m/mole. In water, isopropyl carbamate is not expected to adsorb to suspended solids and sediment in the water column based on its estimated Koc. Volatilization from water surfaces is not expected given this compound's Henry's Law constant. The potential for bioconcentration in aquatic organisms is low based on an estimated BCF of 1.2. Purely aliphatic carbamates are expected to be resistant to hydrolysis under environmental conditions; hydrolysis half-lives of 3300 and 330 years at pH values of 7 and 8, respectively were estimated for isopropyl carbamate. (SRC)

Antidote and Emergency Treatment · 2 Einträge

For immediate first aid: Ensure that adequate decontamination has been carried out. If victim is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep victim quiet and maintain normal body temperature. Obtain medical attention. /Esters and related compounds/

For basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... Monitor for shock and treat if necessary ... For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Esters and related compounds/

Sicherheitsdaten

tsca
TSCA listed
hs_code
2924190090
RTECS-Nr.
FB2975000
risk_code
45
safety_code
53
Giftige Stoffe Daten
1746-77-6(Hazardous Substances Data)