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

2-Methylpent-2-en-1-oic acid

HCID 18458
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Grundinformationen

CAS
16957-70-3
Standard-SMILES
CCC=C(C)C(=O)O
InChIKey
JJYWRQLLQAKNAD-UHFFFAOYSA-N
Summenformel
C6H10O2
Durchschnittliche Molmasse
114,14 g/mol
Monoisotopische Masse
114,06807956

Überblick

2-Methyl-2-pentenoic acid has been reported in Fragaria with data available.

Namen und Bezeichner

Bevorzugter Name
2-Methylpent-2-en-1-oic acid
IUPAC
2-methylpent-2-enoic acid
Lokaler Name
(E)-2-Methylpent-2-en-1-sure
Englischer Name
trans-2-Methyl-2-pentenoic acid
Summenformel
C6H10O2
Molmasse
114.14

Namen und Synonyme

DTXSID00519982-Methylpent-2-en-1-oic acidRefChem:1063842DTXCID7030561221-552-02-METHYL-2-PENTENOIC ACID3142-72-12-methylpent-2-enoic acid2-Pentenoic acid, 2-methyl-StrawberriffMFCD00002655Pentenoic acid, 2-methyl-
Weitere Namen anzeigen
(E)-2-Methylpent-2-enoic acidFEMA 3195FEMA NUMBER 3195(e)-2-pentenoicaciMethyl-2-pentenoicRARECHEM AL BE 0127METHYL-2-PENTENSAEURE, 2-(E) 2-METHYL PENTENOIC ACID(E)-2-Methylpent-2-en-1-sure
methylpent-2-enoic acid2-methyl-pent-2-enoic acidSCHEMBL17819SCHEMBL295472SCHEMBL3599231SCHEMBL27331401JJYWRQLLQAKNAD-UHFFFAOYSA-Ns6327

Datenbank-Bezeichner

CAS
16957-70-3、3142-72-1
PubChem CID
18458
DTXSID
DTXSID0051998
EC Number
221-552-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,4
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
8

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient
Fragrances · 2 Einträge

Fragrance Ingredient (2-Methyl-2-pentenoic acid) -> IFRA transparency List

Fragrance Ingredient (2-Methylpent-2-en-1-oic acid) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.976-0.982
Flavoring AgentsEU Flavoring substances
Solubility · 2 Einträge

Slightly soluble in water; soluble in chloroform, carbon disulfide, ether

soluble (in ethanol)

Physikochemische Eigenschaften

Schmelzpunkt
26 · 26-28 °C (lit.)
Siedepunkt
123 · 123-125 °C/30 mmHg (lit.)
Dichte
0.979 g/mL · 0.979 g/mL at 25 °C
Dampfdichte
1 · >1 (vs air)
Dampfdruck
1.63 Pa · 1.63Pa at 24℃
Brechungsindex
20 · n20/D 1.46(lit.)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (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.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 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%)

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
UN 3261 8/PG 3
hs_code
2916199590
risk_code
34
hazard_code
C

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 349 lb
Consumer UsesFragrance
Household ProductsInformation on 5 consumer products that contain 2-Methylpent-2-Enoic Acid in the following categories is provided:
Use Classification · 4 Einträge

Fragrance Ingredients

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information2-Pentenoic acid, 2-methyl-: ACTIVE

Anwendungen

OccurrenceReported found in strawberry

Darstellung

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

Vor- und nachgelagerte Produkte

Anbieter100 Anbieter

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
Syntechem Co.,Ltd[email protected]

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