Benzeneacetonitrile, alpha-butylidene-, (alphaZ)-
Grundinformationen
- CAS
130786-09-3- Standard-SMILES
CCC/C=C(/C#N)c1ccccc1- InChIKey
UYBGOPSMJQAVEH-GHXNOFRVSA-N- Summenformel
- C12H13N
- Durchschnittliche Molmasse
- 171,24 g/mol
- Monoisotopische Masse
- 171,10479942
Überblick
See also: (2Z)-2-phenylhex-2-enenitrile (annotation moved to).
Namen und Bezeichner
- Bevorzugter Name
- Benzeneacetonitrile, alpha-butylidene-, (alphaZ)-
- IUPAC
- (E)-2-phenylhex-2-enenitrile
Namen und Synonyme
Benzeneacetonitrile, alpha-butylidene-, (alphaZ)-RefChem:562975640-097-2Benzeneacetonitrile, .alpha.-butylidene-, (.alpha.Z)-130786-09-3SCHEMBL3175863
Datenbank-Bezeichner
- CAS
130786-09-3- PubChem CID
- 20831761
- EC Number
- 640-097-2
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 23,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 213
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (Benzeneacetonitrile, a-butylidene-, (Z)) -> IFRA transparency List
Physical DescriptionCBI
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 77 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzeneacetonitrile, .alpha.-butylidene-, (.alpha.Z)-
Benzeneacetonitrile, .alpha.-butylidene-, (.alpha.Z)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzeneacetonitrile, .alpha.-butylidene-, (.alpha.Z)- 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.
Benzeneacetonitrile, α-butylidene-, (αZ)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesFragrance
Household ProductsInformation on 2 consumer products that contain Benzeneacetonitrile, alpha-butylidene-, (alphaZ)-ââ¬Â¨ in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzeneacetonitrile, .alpha.-butylidene-, (.alpha.Z)-: ACTIVE
Zugehörige Reaktionen
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