HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 7341Erstellt: 4. November 2026
2-Methylvaleric acid
FEMA 2754 · FEMA NUMBER 2754 · RARECHEM AL BE 0135 · METHYLPROPYLACETIC ACID · 2-METHYL-N-VALERIC ACID · 2-METHYL-N-PENTANOIC ACID · N-PENTANE-2-CARBOXYLIC ACID
https://huagongshe.com/de/chemical/7341
Identifikatoren & physikalische Daten
| CAS No. | 22160-39-0 |
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| Summenformel | C6H12O2 |
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| Durchschnittliche Molmasse | 116,16 g/mol |
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| Monoisotopische Masse | 116,08372962 g/mol |
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| SMILES | CCCC(C)C(=O)O |
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| InChIKey | OVBFMEVBMNZIBR-UHFFFAOYSA-N |
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| PubChem CID | 7341 |
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| ChEMBL | CHEMBL1204680 |
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| ChEBI | CHEBI:167644 |
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| EC No. | 202-594-9 |
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| DTXSID | DTXSID9021633 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 78,6 |
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| Stoffklassen | Other Classes -> Organic Acids |
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| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102] |
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| Duftstoffe | Fragrance Ingredient (2-Methylvaleric acid) -> IFRA transparency List |
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| LogP (Verteilungskoeffizient) | 1.8 |
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| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| Dichte | 0.919-0.9220.931 g/mL at 25 °C(lit.) |
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| Aromastoffe | EU Flavoring substances |
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| Löslichkeit | 1 ml in 1 ml 95% alcohol (in ethanol) |
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| Siedepunkt | 196-197 °C196-197 °C(lit.) |
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| Dampfdruck | 0.44 [mmHg] |
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| Brechungsindex | 1.411-1.416n20/D 1.414(lit.) |
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| Physical Description | Colorless liquid[Alfa Aesar MSDS]colourless to pale yellow liquid with a caramel, pungent odour |
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| Schmelzpunkt | -85°C |
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| Flammpunkt | 196 °F |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.5% (24 of 1615) of reports.DangerH314 (98.5%): 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 1615 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: Pentanoic acid, 2-methyl-Regulation (EC) No 1831/2003 (amended)Status: Active Update: 23-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/238442-Methylpentanoic acid: Does not have an individual approval but may be used under an appropriate group standard |
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| Gefahrenübersicht | A mild to moderate skin irritant[RTECS] Safe when used as a flavoring agent in food[JECFA] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] |
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| Hazard Classes and Categories | Skin Corr. 1C (98.5%)Skin Corr. 1B (100%) |
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| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 3265 8/PG 2 |
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| RTECS-Nr. | YV7700000 |
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| R-Sätze (R) | 34 |
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| Toxizität | rabbit,LD50,skin,2500mg/kg (2500mg/kg),Food and Chemical Toxicology. Vol. 20, Pg. 763, 1982. |
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| Gefahrensymbole | C |
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| Sicherheitshinweise (S) | 26-36/37/39-45 |
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