(±)-2-Methylbuttersure

2-Methylbutanoic Acid

HCID 8314CAS 116-53-0

Grundinformationen

Standard-SMILES
CCC(C)C(=O)O
InChIKey
WLAMNBDJUVNPJU-UHFFFAOYSA-N
Summenformel
C5H10O2
Durchschnittliche Molmasse
102,13 g/mol
Monoisotopische Masse
102,06807956

Namen und Bezeichner

Bevorzugter Name
2-Methylbutanoic Acid
IUPAC
2-methylbutanoic acid
Lokaler Name
(±)-2-Methylbuttersure
Englischer Name
Methylbutyric acid
Summenformel
C5H10O2
Molmasse
102.13

Namen und Synonyme

2-Methylbutanoic acid116-53-02-METHYLBUTYRIC ACIDDL-2-Methylbutyric acidButanoic acid, 2-methyl-Ethylmethylacetic acidMethylethylacetic acid2-Methybutyric acidalpha-Methylbutyric acidFEMA No. 2695DTXSID5021621PX7ZNN5GXK
Weitere Namen anzeigen
FEMA 2695MethylbutyricAciCARBOXYLIC ACID C5RARECHEM AL BO 0094DL-2-METHYBUTYRICACIDMETHYLETHYL ACETIC ACIDEthylmethyl-laceticacid
NSC-7304DTXCID301621CHEBI:37070RefChem:910087204-145-2209-982-7Methylbutyric acid2-Methyl butyric acid

Datenbank-Bezeichner

CAS
116-53-0、151687-96-6、600-07-7、9007-16-3
PubChem CID
8314
DTXSID
DTXSID5021621
ChEMBL
CHEMBL1160012
ChEBI
CHEBI:37070
UNII
PX7ZNN5GXK
EC Number
204-145-2、209-982-7
Nikkaji
J2.000A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,2
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
7

Experimentelle und physikochemische Eigenschaften

LogP1.18
Density0.932-0.936
Solubility · 2 Einträge

45 mg/mL at 20 °C

1 ml in 1 ml 95% alcohol (in ethanol)

Boiling Point · 2 Einträge

176.00 to 177.00 °C. @ 760.00 mm Hg

176 °C

Refractive Index1.404-1.408
Physical Description · 3 Einträge

Liquid

Solid

colourless to pale yellow liquid

Physikochemische Eigenschaften

Schmelzpunkt
-70 °C · -70°C
Siedepunkt
176 · 176-177 °C(lit.)
Dichte
0.936 g/mL · 0.936 g/mL at 25 °C(lit.)
Dampfdruck
0.5 mm · 0.5 mm Hg ( 20 °C)
Brechungsindex
20 · n20/D 1.405(lit.)
FEMA
2695 · 2695 | 2-METHYLBUTYRIC ACID

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1864) of reports.

Danger

H302 (99.8%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (99.8%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (> 99.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (83.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1864 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 1864 reports by companies.;There are 19 notifications provided by 1863 of 1864 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: Butanoic acid, 2-methyl-

Regulation (EC) No 1831/2003 (amended)

Butanoic acid, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanoic 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)

Status: Active Update: 24-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24166

2-Methylbutyric acid: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2 Einträge

Met. Corr. 1 (100%);Acute Tox. 4 (100%);Acute Tox. 4 (100%);Skin Corr. 1C (100%);Eye Dam. 1 (100%)

Acute Tox. 4 (99.8%);Acute Tox. 4 (99.8%);Skin Corr. 1B (> 99.9%);Eye Dam. 1 (83.6%)

Regulatorische Informationen

Regulatory Information · 5 Einträge

Chemical: Butanoic acid, 2-methyl-

Regulation (EC) No 1831/2003 (amended)

Butanoic acid, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanoic 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)

Status: Active Update: 24-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24166

2-Methylbutyric acid: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

F
13
wgk
1
ridadr
UN 3265 8/PG 3
RTECS-Nr.
EK7897000
risk_code
21/22-34
hazard_code
C

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsExtracellular;Membrane

Verwendung und Herstellung

U.S. Production2023: 1,000,000 - <8,500,000 lb;2022: 8,500,000 - <25,000,000 lb;2021: 1,000,000 - <8,500,000 lb;2020: 1,000,000 - <8,500,000 lb
Industry UsesSolvent;Fuel agents;Intermediate
Use Classification · 3 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2 Einträge

Agriculture, Forestry, Fishing and Hunting;Petroleum Lubricating Oil and Grease Manufacturing;All Other Basic Organic Chemical Manufacturing

Butanoic acid, 2-methyl-: ACTIVE

Vor- und nachgelagerte Produkte

Anbieter27 Anbieter

山西锦洋药用辅料有限公司18234787927
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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