Butylcyanacetat

Butyl cyanoacetate

HCID 79571CAS 5459-58-5

Grundinformationen

Standard-SMILES
CCCCOC(=O)CC#N
InChIKey
DJACTCNGCHPGOI-UHFFFAOYSA-N
Summenformel
C7H11NO2
Durchschnittliche Molmasse
141,17 g/mol
Monoisotopische Masse
141,07897859

Namen und Bezeichner

Bevorzugter Name
Butyl cyanoacetate
IUPAC
butyl 2-cyanoacetate
Lokaler Name
Butylcyanacetat
Englischer Name
n-Butyl cyanoacetate
Summenformel
C7H11NO2
Molmasse
141.17

Namen und Synonyme

Butyl cyanoacetate5459-58-5butyl 2-cyanoacetaten-Butyl cyanoacetateAcetic acid, cyano-, butyl esterCyanoacetic Acid Butyl EsterUNII-F9H6L20VOHDTXSID1044439EINECS 226-730-1Acetic acid, 2-cyano-, butyl esterF9H6L20VOHMFCD00001941
Weitere Namen anzeigen
BCYAn-ButylcyanateAButyl cyanoacetateBUTYL CYANOACETATE(N-)n-Butyl a-cyanoacetateButyl cyanoacetate 95%Butyl Cyanoacetate >
Cyanoacetic acid n-butyl esterBRN 1761735Butyl cyanoacetate, 95%EC 226-730-1Tox21_302126NSC-24260FS-4205CAS-5459-58-5

Datenbank-Bezeichner

CAS
5459-58-5
PubChem CID
79571
DTXSID
DTXSID1044439
ChEMBL
CHEMBL3186378
UNII
F9H6L20VOH
EC Number
226-730-1
Nikkaji
J134.026C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,3
Polarare Oberfläche (TPSA)
50,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
5
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Physikochemische Eigenschaften

Siedepunkt
230.7 °C · 230.7 °C
Dichte
1 · 1
Brechungsindex
20 · n20/D 1.425(lit.)
Flammpunkt
189 °F · 189 °F
storage temp.
2 · 2-8°C
Aggregatzustand
clear liquid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 27.3% (15 of 55) of reports.

Warning

H312 (70.9%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (72.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (72.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (70.9%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (70.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 15 of 55 reports by companies.;There are 3 notifications provided by 40 of 55 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: Acetic acid, cyano-, butyl ester

Acetic acid, 2-cyano-, butyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-cyano-, butyl ester 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 09-02-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/16479

Acetic acid, cyano-, butyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (70.9%);Skin Irrit. 2 (72.7%);Eye Irrit. 2 (72.7%);Acute Tox. 4 (70.9%);STOT SE 3 (70.9%)

Regulatorische Informationen

Regulatory Information · 5 Einträge

Chemical: Acetic acid, cyano-, butyl ester

Acetic acid, 2-cyano-, butyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-cyano-, butyl ester 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 09-02-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/16479

Acetic acid, cyano-, butyl ester: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 3276 6.1/PG 3
hs_code
29269090
RTECS-Nr.
AG3692500
risk_code
20/21/22-36/37/38

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 35,274 lb;2022: 35,274 lb;2021: 141,094 lb;2020: 35,274 lb
Industry UsesIntermediate
General Manufacturing Information · 2 Einträge

Miscellaneous Manufacturing

Acetic acid, 2-cyano-, butyl ester: ACTIVE

Anwendungen

VerwendenButyl cyanoacetate is used as intermediate for numerous organic syntheses, e.g. alpha-cyanoacrylic adhesives. Product Data Sheet

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]

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