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2-Methyl-2-butanol acetate

HCID 12238
NotizenReaktionen
GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
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Grundinformationen

CAS
625-16-1
Standard-SMILES
CCC(C)(C)OC(C)=O
InChIKey
JCCIFDCPHCKATH-UHFFFAOYSA-N
Summenformel
C7H14O2
Durchschnittliche Molmasse
130,18 g/mol
Monoisotopische Masse
130,09937969

Überblick

Tert-amyl acetate is a colorless to yellow watery liquid with a weak odor of bananas. Floats on water. Produces irritating vapor. (USCG, 1999)

Namen und Bezeichner

Bevorzugter Name
2-Methyl-2-butanol acetate
IUPAC
2-methylbutan-2-yl acetate
Englischer Name
T-PENTYL ACETATE
Summenformel
C7H14O2
Molmasse
130.18

Namen und Synonyme

tert-Amyl acetate2-Butanol, 2-methyl-, acetate2-Methyl-2-butanol acetatetertAmyl acetatetertPentyl acetateRefChem:4751611,1Dimethylpropyl acetate2Butanol, 2methyl, acetate809-420-62-methylbutan-2-yl acetate625-16-1T-PENTYL ACETATE
Weitere Namen anzeigen
TERT-AMYLACETATEtertiary amyl acetateCH3C(O)OC(CH3)2CH2CH31,1-DIMETHYLPROPYLACETATEAcetic acid tert-amyl ester
t-Pentylacetate1,1-Dimethylpropyl acetatetert-Pentyl Alcohol, acetatetert-Pentyl Acetateacetic acid tert-pentyl estert-amyl acetatetert-Amyl ethanoateSCHEMBL66104

Datenbank-Bezeichner

CAS
625-16-1
PubChem CID
12238
DTXSID
DTXSID80978091
EC Number
809-420-6
Nikkaji
J95.659G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,5
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
9
Formalladung
0
Komplexität
105

Experimentelle und physikochemische Eigenschaften

Chemical ClassesFlammable agents - 3rd degree
SolventsSolvents -> Esters (<C12)
SpringerMaterials PropertiesDensity
Density0.874 at 66.2 °F (USCG, 1999) - Less dense than water; will float
Flash Point · 2 Einträge

79 °F (est) (USCG, 1999)

79 °F

Boiling Point256.5 °F at 760 mmHg (USCG, 1999)
Melting Pointgreater than -148 °F (USCG, 1999)
Vapor Pressure12.1 [mmHg]
Physical Description · 2 Einträge

Tert-amyl acetate is a colorless to yellow watery liquid with a weak odor of bananas. Floats on water. Produces irritating vapor. (USCG, 1999)

Colorless to yellow liquid with a weak odor of bananas; [CAMEO]

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

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

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationThe 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 HazardsSpecial Hazards of Combustion Products: When heated emits acrid fumes.
Health Hazards · 1 Eintrag

INHALATION AND INGESTION: Irritates the mucous membrane, depresses the central nervous system and is narcotic. Damage to kidney, liver, and lung can occur. Ingestion may irritate gastro-intestinal tract. EYES: Irritation. SKIN: Irritation. (USCG, 1999)

Hazards Summary · 1 Eintrag

A skin, eye, and respiratory tract irritant; Inhalation of high concentrations can cause CNS depression; May cause damage to liver, kidneys, and lungs; [CAMEO] The pentyl acetates are sensory irritants in the work environment. At higher levels in animal experiments, they cause narcosis, hepatotoxicity, and developmental toxicity. [ACGIH]

Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters

Chemie und Industrie

Anbieter7 Anbieter

Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
广州安纳医药科技有限公司020-86211473 13925088720 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]

Zugehörige Reaktionen

3
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 926145
HRID 926145als Eduktuspto-grants-2016_03
Reaktionsgleichung von HRID 1400760
HRID 1400760als Produktuspto-grants-2014_12
Reaktionsgleichung von HRID 1400762
HRID 1400762als Eduktuspto-grants-2014_12

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
Autoignition Temperature
715 °F (USCG, 1999)

Physikochemische Eigenschaften

Schmelzpunkt
-74.65 °C · -74.65°C (estimate)
Siedepunkt
123.5 °C · 123.5°C
Dichte
0.8845 · 0.8845 (estimate)
Brechungsindex
1.3995 · 1.3995
Flammpunkt
24 ℃ · 24℃ (tag closed test)
Wichte
0.873 · 0.873 (20/4℃)
Henry's Law Constant
2.9 · 2.9×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
InChI
InChI=1S/C7H14O2/c1-5-7(3,4)9-6(2)8/h5H2,1-4H3
InChIKey
JCCIFDCPHCKATH-UHFFFAOYSA-N
SMILES
CC(OC(=O)C)(C)CC
LogP
2.059 · 2.059 (est)
EPA chemische Informationen
tert-Amyl acetate (625-16-1)
Reactivity Alerts
Highly Flammable
Reactivity Profile · 1 Eintrag

TERT-AMYL ACETATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.

Air and Water ReactionsHighly flammable.
Hazard Classes and Categories · 2 Einträge

Flam. Liq. 3 (100%)

Flammable agents - 3rd degree

Lower Explosive Limit (LEL)1 % (USCG, 1999)
Upper Explosive Limit (UEL)7.5 % (USCG, 1999)

Sicherheit und Schutzausrüstung

Fire FightingFire Extinguishing Agents Not to Be Used: Water may be ineffective.
First AidCall a physician.
Exposure Control and Personal Protection50.0 [ppm]
Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Isolation and EvacuationExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Threshold Limit Values (TLV) · 2 Einträge

50.0 [ppm]

100.0 [ppm]

Personal Protective Equipment (PPE)Rubber gloves, chemical goggles or face shield, and lab coat. Organic vapor chemical cartridge respirator for less than 1000 ppm; self-contained breathing apparatus for greater than 1000 ppm. (USCG, 1999)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome

Sicherheitsdaten

OEB
A
OEL
TWA: 100.0 ppm; 525.0 mg/m3
ridadr
1104
hazard_class
3.2
packing_group
III