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HCID 12348Erstellt: 27. Oktober 2026

Pentylacetat

PENTYL ACETATE · N-AMYL ACETATE · N-PENTYL ACETATE · ACETIC ACID PENTYL ESTER · n-amyl · 1-PENTYL ACETATE · PENTANYL ACETATE · 1-Pentanol acetate

https://huagongshe.com/de/chemical/12348

Molekülstruktur von Pentylacetat

Identifikatoren & physikalische Daten

CAS No.628-63-7
SummenformelC7H14O2
Durchschnittliche Molmasse130,18 g/mol
Monoisotopische Masse130,09937969 g/mol
SMILESCCCCCOC(C)=O
InChIKeyPGMYKACGEOXYJE-UHFFFAOYSA-N
PubChem CID12348
ChEMBLCHEMBL47769
ChEBICHEBI:87362
EC No.211-047-3
DTXSIDDTXSID1027263
Lokaler NamePentylacetat

Chemische & physikalische Eigenschaften

XLogP1,9
Polarare Oberfläche (TPSA)26,3
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen5
Schwere Atome9
Formalladung0
Komplexität79
StoffklassenFlammable agents - 3rd degree
LipideFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SolventsSolvents -> Esters (<C12)
KosmetikaCosmetic ingredients (Amyl Acetate) -> CIR (Cosmetic Ingredient Review)Solvent
SpringerMaterials PropertiesBoiling point
DuftstoffeFragrance Ingredient (Pentyl acetate) -> IFRA transparency List
LogP (Verteilungskoeffizient)log Kow = 2.302.182.0
GeruchPersistent banana-like odor
Dichte0.876 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8756 at 20 °CRelative density (water = 1): 0.880.879 @ 20°C0.876 g/mL at 25 °C(lit.)
AromastoffeEU Flavoring substances
Viscosity1.58 cP at 11 °C
Color/FormColorless liquid
Schmelzpunkt−100 °C(lit.)
Siedepunkt142-149 °C(lit.)
Dampfdichte4.5 (vs air)
Dampfdruck4 mm Hg ( 20 °C)
Brechungsindexn20/D 1.402(lit.)
Flammpunkt75 °F
LagerbedingungenStore below +30°C.
Löslichkeit10g/l10 g/L (20 ºC)
AggregatzustandPowder
FarbeWhite
GeruchPleasant banana-likemildcharacteristic banana- or pear-like odor.
Geruchsartfruity
Biologische Quellesynthetic
Explosionsgrenze1.1-7.5%(V)
Spezifische WärmekapazitätCp(liquid): 2 J/(g·K), at 25℃
BRN1744753
Henry-Konstante10.73 at 37 °C (static headspace-GC, Bylaite et al., 2004)
Dielektrizitätskonstante5.0(20℃)
Kosmetik-Inhaltsstoffe FunktionenFRAGRANCESOLVENT
InChI1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
InChIKeyPGMYKACGEOXYJE-UHFFFAOYSA-N
SMILESCCCCCOC(C)=O
LogP (Verteilungskoeffizient)2.300
Oberflächenspannung25.8mN/m at 298.15K
CAS Datenbank628-63-7(CAS DataBase Reference)
NIST chemische InformationenAcetic acid, pentyl ester(628-63-7)
EPA chemische Informationenn-Amyl acetate (628-63-7)

Sicherheit & Vorschriften

GHS-EinstufungWarningH226: 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)H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]
Regulatorische InformationenChemical: Acetic acid, pentyl esterAcetic acid, pentyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, pentyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Acetic acid, pentyl ester: HSNO Approval: HSR001083 Approved with controlsThe 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.)
Weitere SicherheitsinformationenIMAP assessments - Acetic acid, pentyl ester: Human health tier I assessment
DOT-KennzeichnungFlammable Liquid
BrandgefahrenExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Flammable. Above 25 °C explosive vapour/air mixtures may be formed.
BrandpotenzialDangerous fire hazard when exposed to heat or flame ... .
GesundheitsgefahrenIrritation of eyes, nose and throat. Dizziness, nausea, headache. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin.
GefahrenübersichtEsters may induce narcosis in animals, but workers' exposures are limited by irritating effects. See appendix in: [Dick RB, et al. Chemicals in the workplace: incorporating human neurobehavioral testing into the regulatory process. Am J Ind Med. 1998 May33(5):439-53.] The pentyl acetates are sensory irritants in the work environment. At higher levels in animal experiments, they cause narcosis, hepatotoxicity, and developmental toxicity. 1-Pentyl acetate has low dermal toxicity, and Skin notation is not warranted. [ACGIH]

Anwendungen & Verwendung

Verwenden

A colorless liquid made by adding sulfuric acid to a mixture of amyl alcohol and acetic acid with subsequent recovery by distillation. It is slightly soluble in water but insoluble in alcohol. Amyl acetate was used as one of the solvents in making celluloid film and as fuel for the Alteneck lamp, adopted as the standard light in sensitometry by the International Congress of Photography in 1889.

DOT-Nummer und Handbuch1104 129
FDA-AnforderungenAmyl acetate is a indirect food additive for use only as a component of adhesives.
Reaktive GruppeEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
EG-EinstufungR: 10-66S: (2)-23-25Note: C
UN-EinstufungUN Hazard Class: 3UN Pack Group: III
BrandbekämpfungExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:Use alcohol-resistant foam, powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
Erste-Hilfe-MaßnahmenFresh 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.
Freisetungsmaßnahmen· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
Erste HilfeExcerpt from NIOSH Pocket Guide for n-Amyl acetate:General First Aid:(General first aid procedures)
Sichere LagerungFireproof. Separated from oxidants.
Firefighting HazardsVapors may travel long distances to ignition sources and flashback. Vapors in confined areas may explode when exposed to fire.
Expositionsschutz und Persönliche Schutzausrüstung· Wear positive pressure self-contained breathing apparatus (SCBA).1531.0 [ppm]50.0 [ppm]
BrandbekämpfungsverfahrenTo fight fire, use alcohol foam, dry chemical.If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Apply water from as far a distance as possible. Cool all affected containers with flooding quantities of water. Use "alcohol" foam, dry chemical or carbon dioxide. /Amyl acetates/
LagerbedingungenStorage temp: ambient (cool)Large quantities should be stored outdoors, in above ground storage tanks. Drums should be stored in a cool, well ventilated area. All storage containers should be grounded.
Reinigungsverfahren1) Remove all ignition sources. 2) Ventilate area of spill or leak. 3) For small quantities, absorb on paper towels. Evaporate in a safe place (such as a fume hood). Allow sufficient time for evaporating vapors to completely clear ductwork. Burn the paper in a suitable location away from combustible materials. Large quantities can be collected and atomized in a suitable combustion chamber. n-Amyl acetate should not be allowed to enter confined space, such as a sewer, because of the possibility of explosion.Environmental considerations: Air spill - Apply water spray or mist to knock down vapors. /Amyl acetates/Environmental considerations: Water spill - Use natural barriers or oil spill control booms to limit spill travel. Use surface active agent (e.g., detergent, soaps, alcohols), if approved by EPA. Inject "universal" gelling agent to solidify encircled spill and increase effectiveness of booms. If dissolved, in region of 10 ppm or greater concentration, apply activated carbon at ten times the spilled amount. Remove trapped material with suction hoses. Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates. /Amyl acetates/Environmental considerations: Land spill - Dig a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Apply appropriate foam to diminish vapor and fire hazard. /Amyl acetates/
Freisetung ohne BrandExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
EntsorgungsverfahrenSRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal and plant lifeand conformance with environmental and public health regulations.1. By absorbing it in vermiculite, dry sand, earth, or a similar material. 2. By atomizing in a suitable combustion chamber.SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal.Amyl acetate is a waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration.The following wastewater treatment technology has been investigated for amyl acetate (primary): Activated carbon.
Körperbelastungn-Amyl acetate was identified, not quantified, in human adipose tissue(1).
ZielorganeEyes, skin, respiratory system, central nervous system
ÖkotoxizitätswerteLC50Species: Chlorococcales (Green Algae Order)Conditions: freshwater, staticConcentration: 1300000 ug/L for 24 hr /formulation/Species: Daphnia magna (Water Flea) age < or =24 hrConditions: freshwater, static, 20-22 °CConcentration: 210000 ug/L for 24 hr /formulation/
UmweltverhaltenTERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 34(SRC), determined from a structure estimation method(2), indicates that n-amyl acetate is expected to have very high mobility in soil(SRC). Volatilization of n-amyl acetate from moist soil surfaces is expected to be an important fate process(SRC) given a reported Henry's Law constant of 3.88X10-4 atm-cu m/mole(3). n-Amyl acetate is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.5 mm Hg at 25 °C(4). Biodegradation is expected to occur based upon a 5-day theoretical BOD of 31% using an acclimated mixed culture(5).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 34(SRC), determined from a structure estimation method(2), indicates that n-amyl acetate is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a reported Henry's Law constant of 3.88X10-4 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 6 hours and 5.3 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 15(SRC), from its log Kow of 2.3(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation is expected to occur based upon 5-day theoretical BODs of 64% in fresh water and 35% in salt water(8) and a freshwater biodegradation half-life of 10 days determined from a river die-away test(9). Hydrolysis is expected to occur slowly based upon estimated hydrolysis half-lives of 2 years and 78 days at pH 7 and 8, respectively(10).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), n-amyl acetate, which has a vapor pressure of 3.5 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase n-amyl acetate 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 51 hours(SRC), calculated from its rate constant of 7.55X10-12 cu cm/molecule-sec at 25 °C(3). n-Amyl acetate does not contain chromophores that absorb at wavelengths >290 nm(4) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).
Lebensmitteluntersuchungswerten-Amyl acetate was identified, not quantified, in nectarines(1) apples(2,3) and kiwi fruit(4). n-Amyl acetate was identified, not quantified, in the volatile component of baked potatoes(5) and fried chicken(6).
Unerwünschte WirkungenNeurotoxin - Acute solvent syndrome
ExpositionspfadeThe substance can be absorbed into the body by inhalation of its vapour.inhalation, ingestion, skin and/or eye contact
ToxizitätsübersichtSafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Signs and SymptomsCough. Dizziness. Drowsiness. Headache. Sore throat.Dry skin. Redness.Redness. Pain.irritation eyes, nosedermatitispossible central nervous system depression, narcosis
Effluent Concentrationsn-Amyl acetate has been detected in effluent originating from the explosives industry (26 ppm) and of the porcelain/enameling industry (31 ppm)(1).
Soil Adsorption/MobilityUsing a structure estimation method based on molecular connectivity indices(1), the Koc of n-amyl acetate can be estimated to be 34(SRC). According to a classification scheme(2), this estimated Koc value suggests that n-amyl acetate is expected to have very high mobility in soil.
Natural Pollution Sources... Occurs naturally in various fruit, such as volatile aroma of banana oil, where it is biosynthesized from L-leucine. ... Has been identified in yeasts, liquors, & in the alarm system for the honeybee's defense.OCCURS IN PEARS AND CONTRIBUTES TO THEIR SCENT.n-Amyl acetate occurs in fruits(1-2) and may be released into the environment as a plant volatile(SRC).
TSCA-AnforderungenSection 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date: 1/26/94Reporting date: 3/28/94.Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. n-Amyl acetate is included on this list. Effective date: 1/26/94Sunset date: 6/30/98.A testing consent order is in effect for amyl acetate for health effects testing. FR citation: 1/23/95.
FIFRA-AnforderungenResidues of amyl acetate are exempted from the requirement of a tolerance when used in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest. Use: Solvent, cosolvent, attractant.
LuftstandardsThis action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Amyl acetates are produced, as an intermediate or final product, by process units covered under this subpart. /Amyl acetates/
CERCLA-MeldepflichtmengenPersons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 5000 lb or 2270 kg. The toll free number of the NRC is (800) 424-8802. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).
Clean Water Act AnforderungenAmyl acetate is designated as a hazardous substance under section 311(b)(2)(A) of the Federal Water Pollution Control Act and further regulated by the Clean Water Act Amendments of 1977 and 1978. These regulations apply to discharges of this substance. This designation includes any isomers and hydrates, as well as any solutions and mixtures containing this substance.
F21
Berufliche Expositionsstufe (OEB)A
Arbeitsplatzgrenzwert (OEL)TWA: 100 ppm (525 mg/m3)
Wassergefährdungsklasse (WGK)3
Sofort lebensgefährliche Konzentration1,000 ppm
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN 1104
Zollcode29153930
RTECS-Nr.AJ1925000
R-Sätze (R)10-66
ToxizitätAcute oral LD50 for rats 6,500 mg/kg (quoted, RTECS, 1985).
GefahrensymboleXi
Sicherheitshinweise (S)23-25-24/25
Gefahrenklasse3Flam. Liq. 3
VerpackungsgruppeIII
Lagerklasse3 - Flammable liquids
Gefahrstoffdaten628-63-7(Hazardous Substances Data)
Selbstentzündungstemperatur680 °F &_& 714 °F