Benzeneacetonitrile, alpha-butylidene-, (alphaZ)-

https://huagongshe.com/de/chemical/20831761

Identifikatoren & physikalische Daten

CAS No.	130786-09-3
Summenformel	C12H13N
Durchschnittliche Molmasse	171,24 g/mol
Monoisotopische Masse	171,10479942 g/mol
SMILES	CCC/C=C(/C#N)c1ccccc1
InChIKey	UYBGOPSMJQAVEH-GHXNOFRVSA-N
PubChem CID	20831761
EC No.	640-097-2

Chemische & physikalische Eigenschaften

XLogP	3,4
Polarare Oberfläche (TPSA)	23,8
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	3
Schwere Atome	13
Formalladung	0
Komplexität	213
Duftstoffe	Fragrance Ingredient (Benzeneacetonitrile, a-butylidene-, (Z)) -> IFRA transparency List
Physical Description	CBI

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (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.
Regulatorische Informationen	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, Î±-butylidene-, (Î±Z)-: 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 Categories	Acute Tox. 4 (100%)

CAS No.

130786-09-3

Summenformel

C12H13N

Durchschnittliche Molmasse

171,24 g/mol

Monoisotopische Masse

171,10479942 g/mol

SMILES

CCC/C=C(/C#N)c1ccccc1

InChIKey

UYBGOPSMJQAVEH-GHXNOFRVSA-N

PubChem CID

20831761

EC No.

640-097-2

XLogP

3,4

Polarare Oberfläche (TPSA)

23,8

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

213

Duftstoffe

Fragrance Ingredient (Benzeneacetonitrile, a-butylidene-, (Z)) -> IFRA transparency List

Physical Description

CBI

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (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.

Regulatorische Informationen

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, Î±-butylidene-, (Î±Z)-: 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 Categories

Acute Tox. 4 (100%)