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HCID 18458Erstellt: 26. Oktober 2026

(E)-2-Methylpent-2-en-1-sure

STRAWBERRIFF · (E)-2-Methylpent-2-enoic acid · FEMA 3195 · FEMA NUMBER 3195 · (e)-2-pentenoicaci · Methyl-2-pentenoic · RARECHEM AL BE 0127 · METHYL-2-PENTENSAEURE, 2-

https://huagongshe.com/de/chemical/18458

Molekülstruktur von (E)-2-Methylpent-2-en-1-sure

Identifikatoren & physikalische Daten

CAS No.16957-70-3
SummenformelC6H10O2
Durchschnittliche Molmasse114,14 g/mol
Monoisotopische Masse114,06807956 g/mol
SMILESCCC=C(C)C(=O)O
InChIKeyJJYWRQLLQAKNAD-UHFFFAOYSA-N
PubChem CID18458
EC No.221-552-0
DTXSIDDTXSID0051998
Lokaler Name(E)-2-Methylpent-2-en-1-sure

Chemische & physikalische Eigenschaften

XLogP1,4
Polarare Oberfläche (TPSA)37,3
H-Brücken-Donoren1
H-Brücken-Akzeptoren2
Frei drehbare Bindungen2
Schwere Atome8
Formalladung0
Komplexität114
SpringerMaterials PropertiesOptical coefficient
DuftstoffeFragrance Ingredient (2-Methyl-2-pentenoic acid) -> IFRA transparency ListFragrance Ingredient (2-Methylpent-2-en-1-oic acid) -> IFRA transparency List
LebensmittelzusatzstoffeFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Dichte0.976-0.9820.979 g/mL at 25 °C
AromastoffeEU Flavoring substances
LöslichkeitSlightly soluble in watersoluble in chloroform, carbon disulfide, ethersoluble (in ethanol)soluble in Chloroform, Methanolinsoluble
Siedepunkt123-125 °C (30 mm Hg)123-125 °C/30 mmHg (lit.)
Brechungsindex1.450-1.460n20/D 1.46(lit.)
Physical DescriptionLiquidcolourless to pale yellow liquidfruity aroma
Schmelzpunkt26-28 °C (lit.)
Dampfdichte>1 (vs air)
Dampfdruck1.63Pa at 24℃
FEMA3195 | 2-METHYL-2-PENTENOIC ACID
Flammpunkt226 °F
LagerbedingungenSealed in dry,Room Temperature
Aggregatzustandclear liquid
pKa (Säurekonstante)5.00±0.19(Predicted)
FarbeColorless to Light orange to Yellow
Geruchat 10.00 % in dipropylene glycol. fruity strawberry woody
Geruchsartfruity
Biologische Quellesynthetic
Hauptanwendungenflavors and fragrances
Kosmetik-Inhaltsstoffe FunktionenPERFUMING
InChI1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4+
InChIKeyJJYWRQLLQAKNAD-SNAWJCMRSA-N
SMILESCC\C=C(/C)C(O)=O
LogP (Verteilungskoeffizient)1.9 at 25℃
CAS Datenbank16957-70-3(CAS DataBase Reference)
NIST chemische Informationen2-Pentenoic acid, 2-methyl-, (E)-(16957-70-3)
EPA chemische Informationen2-Pentenoic acid, 2-methyl-, (2E)- (16957-70-3)

Sicherheit & Vorschriften

GHS-EinstufungDangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1303 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische InformationenChemical: 2-Pentenoic acid, 2-methyl-Regulation (EC) No 1831/2003 (amended)2-Pentenoic acid, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pentenoic acid, 2-methyl- 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)2-Pentenoic acid, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Wassergefährdungsklasse (WGK)2
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN 3261 8/PG 3
Zollcode2916199590
R-Sätze (R)34
GefahrensymboleC
Sicherheitshinweise (S)26-36/37/39-45
Gefahrenklasse8Skin Corr. 1B
VerpackungsgruppeIII
Lagerklasse8A - Combustible corrosive hazardous materials

Anwendungen & Verwendung

Occurrence

Reported found in strawberry

Herstellung & Synthese

synthetische

By distillation of 2-hydroxy-2-methylvaleric acid (cis-form).