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HCID 7765Erstellt: 25. Oktober 2026

Acetal

https://huagongshe.com/de/chemical/7765

Molekülstruktur von Acetal

Identifikatoren & physikalische Daten

CAS No.105-57-7
SummenformelC6H14O2
Durchschnittliche Molmasse118,17 g/mol
Monoisotopische Masse118,09937969 g/mol
SMILESCCOC(C)OCC
InChIKeyDHKHKXVYLBGOIT-UHFFFAOYSA-N
PubChem CID7765
ChEMBLCHEMBL1338583
ChEBICHEBI:179533
EC No.203-310-6
DTXSIDDTXSID6030607

Chemische & physikalische Eigenschaften

XLogP0,8
Polarare Oberfläche (TPSA)18,5
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen4
Schwere Atome8
Formalladung0
Komplexität39,8
StoffklassenOther Classes -> AcetalsFlammable agents - 3rd degree
SpringerMaterials PropertiesBoiling point
DuftstoffeFragrance Ingredient (Acetal) -> IFRA transparency List
LogP (Verteilungskoeffizient)Log Kow = 0.841.49
GeruchPUNGENT, GREEN, WOODY SOLVENT ODOR
GeschmackWHISKEY TASTEnutty after-taste
LebensmittelzusatzstoffeFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Dichte0.831 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8254 AT 20 °C/4 °CRelative density (water = 1): 0.830.822-0.8310.8254 g/cm3
AromastoffeEU Flavoring substances
ViscosityLiquid viscosity = 2.1531X10-3 Pa.s @ 200 deg K
Color/FormCOLORLESS LIQUID
LöslichkeitMISCIBLE WITH ALCOHOL, 60% ALCOHOL, ETHERSOL IN HEPTANE, METHYLCYCLOHEXANE, ETHYL ACETATEPROPYL, ISOPROPYL, BUTYL & ISOBUTYL ALCOHOLS100 G WATER DISSOLVE 5 G ACETALSOL IN CHLOROFORMsol in acetoneWater Solubility = 4.4X10+4 mg/L at 25 °C44 mg/mL at 25 °CSolubility in water, g/100ml: 5.0
Schmelzpunkt-100 °C
Siedepunkt-23 °C(Press: 1.0 Torr)
FarbeColorless, volatile liquid
Geruchagreeable odor, nuttyaftertaste

Sicherheit & Vorschriften

GHS-EinstufungDangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)H225 (98.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Regulatorische InformationenChemical: Ethane, 1,1-diethoxy-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 04-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23631Ethane, 1,1-diethoxy-: HSNO Approval: HSR001239 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.)
DOT-KennzeichnungFlammable Liquid
BrandgefahrenSpecial Hazards of Combustion Products: Explosive· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Highly flammable. Vapour/air mixtures are explosive.
BrandpotenzialDANGEROUS, DUE TO FIRE AND EXPLOSION HAZARDS. DANGEROUS, WHEN EXPOSED TO HEAT OR FLAME
GesundheitsgefahrenMay irritate the upper respiratory tract. High concentrations act as a central nervous system depressant. Symptoms of exposure include headache, dizziness, drowsiness, abdominal pain, and nausea. (USCG, 1999)· Inhalation or contact with material may irritate or burn skin and eyes.
GefahrenübersichtHighly flammableInhalation of high concentrations can cause CNS depression[Hawley] Hydrolyzed in the stomach to acetaldehyde and ethyl alcohol[HSDB] Forms heat-sensitive explosive peroxides on contact with airAn upper respiratory tract irritant[CAMEO] A mild skin and eye irritant, based on animal studies[CHEMINFO] A skin, eye, and respiratory tract irritantExposure may result in lowering of consciousness. [ICSC] Safe when used as a flavoring agent in food[JECFA] An irritant[MSDSonline]
DOT-Nummer und Handbuch1088 127
FDA-AnforderungenAcetal is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: 1) the quantity added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) when intended for use in or on food it is of appropriate food grade and is prepared and handled as a food ingredient.
Reaktive GruppeEthers
EG-EinstufungSymbol: F, XiR: 11-36/38S: (2)-9-16-33
UN-EinstufungUN Hazard Class: 3UN Pack Group: II
Reactivity AlertsHighly Flammable
BrandbekämpfungExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:Use powder, AFFF, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
Erste-Hilfe-MaßnahmenFresh air, rest. Refer for medical attention.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.Do NOT induce vomiting. Give one or two glasses of water to drink. Refer for medical attention .
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 HilfeINGESTION: Call a physician. Keep victim warm.General First Aid:
Sichere LagerungFireproof. Separated from strong oxidants. Cool. Keep in the dark. Well closed. Store only if stabilized.
Expositionsschutz und Persönliche Schutzausrüstung· Wear positive pressure self-contained breathing apparatus (SCBA).
BrandbekämpfungsverfahrenIf material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Solid streams of water may spread fire. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, dry chemical or carbon dioxide.Evacuation: If fire becomes uncontrollable or container is exposed to direct flame - consider evacuation of one-third (1/3) mile radius.
Freisetung ohne BrandExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
EntsorgungsverfahrenSRP: 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.
Verschüttetes entsorgenPersonal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Remove all ignition sources. Collect leaking and spilled liquid in covered containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
Preventive MeasuresIf material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to disperse vapors and dilute standing pools of liquid.Personnel protection: Avoid breathing vapors. Keep upwind. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water.Evacuation: ... If material leaking (not on fire) consider evacuation from downwind area based on amount of material spilled, location and weather conditions.
Isolation and EvacuationExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:Immediate precautionary measure
KörperbelastungAcetal has been identified in one out of 12 human breath samples from subjects in New Jersey (nine people) and in North Carolina (3 people)(1).
UmweltverhaltenTERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 68(SRC), determined from an experimental log Kow(2) and a recommended regression-derived equation(3), indicates that acetal will have high mobility in soil(SRC). Volatilization of acetal may be important from moist soil surfaces(SRC) given an estimated Henry's Law constant of 9.75X10-5 atm-cu m/mole(SRC), calculated from experimental values for vapor pressure(4) and water solubility(5), and from dry soil surfaces(SRC) based on an experimental vapor pressure of 27.6 mm Hg(5). Insufficient data are available to determine the rate or importance of biodegradation of acetal in soil(SRC).AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 68(SRC), determined from an experimental log Kow(2) and a recommended regression-derived equation(3), indicates that acetal would not adsorb to suspended solids and sediment(SRC) in the water. Acetal would volatilize from water surfaces based on an estimated Henry's Law constant of 9.75X10-5 atm-cu m/mole(SRC), calculated from experimental values for vapor pressure(4) and water solubility(5). Estimated half-lives for a model river and model lake are 13 hours and 7.3 days, respectively(3,SRC). An estimated BCF value of 2.6(3,SRC), from an experimental log Kow(2), suggests that acetal will not bioconcentrate in aquatic organisms(SRC) according to a recommended classification scheme(6). Acetals are easily cleaved by dilute acids by the SN1 mechanism(7). However, they are extremely resistant to hydrolysis by bases(7). Therefore, hydrolysis of acetal is expected to be an important fate process in acidic water conditions(SRC). Insufficient data are available to determine the rate or importance of biodegradation of acetal in water(SRC).ATMOSPHERIC FATE: According to a suggested classification scheme(1), an experimental vapor pressure of 27.6 mm Hg at 25 °C(2) indicates that acetal will exist in the vapor phase in the ambient atmosphere. Vapor-phase acetal 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 about 19.6 hours(3,SRC).
LebensmitteluntersuchungswerteAcetal has been identified in commercial and concentrated aqueous orange essences(1). Acetal was identified as a volatile component of pork and beef(2). Acetal has also been identified as a headspace volatile of a sample of a genuine French cognac (40 vol% ethanol content)(3).
Unerwünschte WirkungenNeurotoxin - Other CNS neurotoxin
ExpositionspfadeThe substance can be absorbed into the body by inhalation of its vapour and by ingestion.
Signs and SymptomsCough. Dizziness. Drowsiness. Headache. Nausea. Sore throat.Redness.Redness. Pain.Diarrhoea. Nausea. Vomiting.
Effluent ConcentrationsAcetal was qualitatively identified in trench leachate samples collected from commercially operated low-level radioactive waste disposal sites at Maxey Flats, KY and at West Valley, NY(1). Acetal was listed as a contaminant found in advanced wastewater treatment for a survey of US cities including Lake Tahoe, CA and the Blue Plains plant in Washington, DC(2).
Soil Adsorption/MobilityThe Koc of acetal is estimated as approximately 68(SRC), using an experimental log Kow of 0.84(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that acetal has high mobility in soil(SRC).
Natural Pollution SourcesAcetal has been identified in commercial and concentrated aqueous orange essence(1). Acetal has also been identified as a headspace volatile of a sample of genuine French cognac (40 vol% ethanol content)(2).
Human Toxicity ExcerptsTESTED AT 10% IN PETROLATUM, ACETAL PRODUCED NO IRRITATION AFTER 48-HR CLOSED-PATCH TEST ON HUMAN SUBJECTS.Moderately toxic and.../SRP: CNS depressive/ in high concn.
Artificial Pollution SourcesAcetal's production and use as a synthetic flavoring ingredient(1), a solvent(2), a hypnotic(2), in organic synthesis(2), perfumes(2), and in cosmetics(3) may result in its release to the environment through various waste streams(SRC).
Environmental BioconcentrationAn estimated BCF value of 2.6 was calculated for acetal(SRC), using an experimental log Kow of 0.84(1) and a recommended regression-derived equation(2). According to a recommended classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms will be low(SRC).
UN-TransportnummerUN 1088
ToxizitätLD50 orl-rat: 4600 mg/kg MDZEAK 8,244,67
Gefahrenklasse3
VerpackungsgruppeII