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HCID 13143Erstellt: 27. Oktober 2026

Isopropenylmethylketon

3-methylbut-3-en-2-one · 3-Methyl-3-buten-2-one (stabilized with HQ) · Stabilizedwithhq · methylbutenone[qr] · CH2=C(CH3)C(=O)CH3 · 3-Methyl-3-buten-2-on · Methylisopropenylketon · 3-Methylene-2-butanone

https://huagongshe.com/de/chemical/13143

Molekülstruktur von Isopropenylmethylketon

Identifikatoren & physikalische Daten

CAS No.54789-11-6
SummenformelC5H8O
Durchschnittliche Molmasse84,12 g/mol
Monoisotopische Masse84,05751488 g/mol
SMILESC=C(C)C(C)=O
InChIKeyZGHFDIIVVIFNPS-UHFFFAOYSA-N
PubChem CID13143
ChEBICHEBI:88437
EC No.212-405-1
DTXSIDDTXSID9052557
Lokaler NameIsopropenylmethylketon

Chemische & physikalische Eigenschaften

XLogP0,9
Polarare Oberfläche (TPSA)17,1
H-Brücken-Donoren0
H-Brücken-Akzeptoren1
Frei drehbare Bindungen1
Schwere Atome6
Formalladung0
Komplexität81,9
StoffklassenFlammable agents - 3rd degree
PolymersPlastics & Rubber -> Other Monomers
SpringerMaterials PropertiesBoiling point
GeruchPLEASANTPUNGENT
GeschmackSWEET
LebensmittelzusatzstoffeFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Dichte0.85 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8527 AT 20 °C/4 °C0,86 g/cm3
Color/FormCLEAR, COLORLESS LIQUID
LöslichkeitSOL IN ALCOHOLSlightly soluble in waterChloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
Flammpunktless than 73 °F (USCG, 1999)9 °C49 °F CC9 °C CC9°C
Siedepunkt208 °F at 760 mmHg (USCG, 1999)98 °C97.00 to 99.00 °C. @ 760.00 mm Hg98°C
Schmelzpunkt-65 °F (USCG, 1999)-54 °C-54°C
Brechungsindex1.4210 to 1.4250
LagerbedingungenFreezer
Aggregatzustandclear liquid
FarbeColorless to Light yellow
GeruchVery pungentpleasantsweet.
Henry-Konstante9.8×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
InChI1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3
InChIKeyZGHFDIIVVIFNPS-UHFFFAOYSA-N
SMILESCC(=C)C(C)=O
LogP (Verteilungskoeffizient)0.561 (est)
CAS Datenbank814-78-8
NIST chemische Informationen3-Buten-2-one, 3-methyl-(814-78-8)
EPA chemische Informationen3-Buten-2-one, 3-methyl- (814-78-8)

Sicherheit & Vorschriften

GHS-EinstufungDangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 130 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
Regulatorische InformationenChemical: 3-Buten-2-one, 3-methyl-3-Buten-2-one, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standardThe 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
BrandgefahrenBehavior in Fire: May polymerize and explode. (USCG, 1999)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
BrandpotenzialFlammable, dangerous fire risk
GesundheitsgefahrenInhalation causes irritation of nose and throat. Liquid may cause severe damage to eyes, resulting possibly in some permanent impairment of visionvapor produces tears. If not removed promptly from skin, liquid may cause delayed pain and blistering. Ingestion causes irritation of mouth and stomach. (USCG, 1999)· Inhalation or contact with material may irritate or burn skin and eyes.
GefahrenübersichtHighly toxic by inhalation, skin absorption, and ingestionA skin, eye, and respiratory tract irritantStrong lachrymator[HSDB] Readily polymerizesExplosive in air at 1.8-9.0%[Hawley] Methyl isopropenyl ketone, stabilized (UN1246) has warning of explosive polymerization

Anwendungen & Verwendung

Verwenden

Plastics.

[ERG 2016]
DOT-Nummer und Handbuch1246 127P
Reaktive GruppeKetones
Reactivity AlertsHighly Flammable
Reactivity ProfileMETHYL ISOPROPENYL KETONE tends to polymerizethis reaction is mostly suppressed by the inhibitor. Can polymerize if heated or contaminated. If confined in a container when polymerization is initiated, the container may violently rupture (USCG, 1999).
Flammable Limits(PERCENT PER VOL): LOWER: 1.8UPPER 9.0
DOT Emergency Guidelines/GUIDE 127P: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. /Methyl isopropenyl ketone, inhibitedMethyl isopropenyl ketone, stabilized//GUIDE 127P: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE)/ Health: Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control may cause pollution. /Methyl isopropenyl ketone, inhibited/GUIDE 127P: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering. /Methyl isopropenyl ketone, inhibited/GUIDE 127P: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. /Methyl isopropenyl ketone, inhibitedFor more DOT Emergency Guidelines (Complete) data for METHYL ISOPROPENYL KETONE (8 total), please visit the HSDB record page.
BrandbekämpfungExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)polymerization hazard]:
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 HilfeINHALATION: remove victim from exposuregive artificial respiration if neededcall physician.General First Aid:
Expositionsschutz und Persönliche Schutzausrüstung· Wear positive pressure self-contained breathing apparatus (SCBA).
BrandbekämpfungsverfahrenDry chemical, foam, carbon dioxide. Water may be ineffective. /inhibited/
Lagerbedingungen...MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMPOSE INTO TOXIC COMPONENTS...SHOULD BE STORED IN A COOL, WELL VENTILATED PLACE, OUT OF THE DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, AND SHOULD BE PERIODICALLY INSPECTED. INCOMPATIBLE MATERIALS SHOULD BE ISOLATED.../Store/...at subzero temp to prevent polymerization.
Freisetung ohne BrandExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)polymerization hazard]:
Preventive MeasuresA MAXIMUM CONCN OF 0.3 PPM FOR REPEATED EXPOSURES SHOULD BE LOW ENOUGH TO PREVENT LOCAL & SYSTEMIC TOXICITY. ENGINEERING FEATURES...SHOULD INCLUDE GOOD VENTILATION.
Isolation and EvacuationExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)polymerization hazard]:Immediate precautionary measure
Personal Protective Equipment (PPE)Goggles or face shieldrubber gloves. (USCG, 1999)PROTECTIVE EQUIPMENT, INCLUDING OCCLUSIVE EYE PROTECTION TO PREVENT EYE DAMAGE BY VAPORS SHOULD BE...USED....rubber gloves /inhibited/
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.
Unerwünschte WirkungenLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.
Human Toxicity Excerpts...A DEFINITE SKIN IRRITANT. ...DEVELOPMENT OF BLISTERING & PAIN MAY NOT OCCUR IMMEDIATELY UPON CONTACT. SEVERAL MINUTES MAY ELAPSE BEFORE SUCH MANIFESTATIONS ARISE....MODERATE TO HIGH DEGREE OF TOXICITY BY SINGLE ORAL EXPOSURE. EYE CONTACT...MAY RESULT IN SEVERE DAMAGE RESULTING...IN...PERMANENT IMPAIRMENT OF VISION... VAPORS ARE ALSO HIGHLY TOXIC AS WELL AS IRRITATING TO THE RESPIRATORY PASSAGES.METHYL ISOPROPENYL KETONE IS HIGHLY TOXIC BY THE ORAL, PERCUTANEOUS, & RESPIRATORY ROUTES. TOPICAL EXPOSURE TO THE SKIN MAY BE MODERATELY IRRITATING WHILE TOPICAL OR VAPOR EXPOSURE TO THE EYE MAY BE SEVERELY IRRITATING.
Non-Human Toxicity ExcerptsWhen tested by application to rabbit eyes, methyl isopropenyl ketone was found to cause severe irritation & damage. ...moderate irritant to rabbit skin particularly when applied under a wrap. ... Rats survived a 90-min exposure to nominal vapor concn of 524 ppm, but exhibited...irritation of ocular & nasal tissues. At a nominal vapor of 1455 ppm for 30 min.../irritation/ & deaths occurred in minutes. Animals dying during these exposures were cyanotic & died in convulsions.7-hr exposures of rats, guinea pigs, & rabbits for 20 exposures in 28 days at...30 ppm resulted in...ocular & nasal irritation in all species, death & weight loss in rats, & decreased growth in guinea pigs. In rats, the lungs were severely affected &...changes were found in the kidneys & spleen. Leukocytosis was also observed. Organs of other species were not significantly affected. One hundred 7-hr exposures of 15 ppm...to rats, guinea pigs, & rabbits over 140-day period produced ocular & nasal irritation in all animals. Also, mortality, leukocytosis, & slight renal damage characterized by increased kidney weight & slight tubular damage occurred in the rats.
Probable Routes of Human ExposureShort-term exposures...ranging from 0.291 to 14.5 ppm have been reported. There was a questionable odor but no irritation at 0.291 ppm. At 0.77 ppm, there was an immediate definite odor & the vapors were evident to the eyes after a few min. At 1.45 & 2.91 ppm, eye irritation was apparent. At 14.5 ppm, there was an immediate strong odor with eye irritation...after 2 min. Ocular irritation rapidly increased in severity with time. ... Industrial exposures are likely to be by inhalation, skin & eye contact. Its strong irritating & lacrimatory properties may not prevent toxicity because these effects are often not immediately sensed.
Toxicity DataLCLo (rat) = 125 ppm/4h
Wassergefährdungsklasse (WGK)WGK 3
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN 1246 (METHYL ISOPROPENYL KETONE, STABILIZED)
Zollcode29141900
RTECS-Nr.EN0175000
R-Sätze (R)11-23/24/25-36/37/38-27-25
GefahrensymboleF,T+
Sicherheitshinweise (S)16-29-33-36/37/39-45-28-26
Gefahrenklasse3Acute Tox. 1 DermalAcute Tox. 3 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
VerpackungsgruppeII
Lagerklasse3 - Flammable liquids
Gefahrstoffdaten814-78-8(Hazardous Substances Data)