1-Ethynyl-4-pentylbenzene

HCID 2775131CAS 79887-10-8

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Grundinformationen

Standard-SMILES: C#Cc1ccc(CCCCC)cc1
InChIKey: APGNXGIUUTWIRE-UHFFFAOYSA-N
Summenformel: C13H16
Durchschnittliche Molmasse: 172,27 g/mol
Monoisotopische Masse: 172,12520051

Namen und Bezeichner

Bevorzugter Name: 1-Ethynyl-4-pentylbenzene
IUPAC: 1-ethynyl-4-pentylbenzene
Englischer Name: 1-Ethynyl-4-pentylbenzene
Summenformel: C13H16
Molmasse: 172.27

Namen und Synonyme

1-Ethynyl-4-pentylbenzene79887-10-84-PentylphenylacetyleneDTXSID80379403RefChem:432722DTXCID90330429640-233-04-n-Pentylphenylacetylene4-EthynylpentylbenzeneMFCD00173884(4-pentylphenyl)acetyleneP-ETHYNYLPENTYLBENZENE

Weitere Namen anzeigen

-4-pentyLBUTTPARK 145\20-414-amylphenylacetylene4-N-AMYLPHENYLACETYLENE4-penty phenyl acetylene1-Ethynyl-4-pentybenzene-Ethynyl-4-pentylbenzene

CHEBI:189254AKOS005146091CS-W017589AS-151161-Eth-1-ynyl-4-pentylbenzeneBenzene, 1-ethynyl-4-pentyl-4-AmylphenyBCP21815

Datenbank-Bezeichner

CAS: 79887-10-8
PubChem CID: 2775131
DTXSID: DTXSID80379403
ChEBI: CHEBI:189254
EC Number: 640-233-0
Nikkaji: J1.651.223K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,6
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 5
Schwere Atome: 13
Formalladung: 0
Komplexität: 164

Physikochemische Eigenschaften

Schmelzpunkt: 240 °C · >240 °C (decomp)
Siedepunkt: 172 °C · 172 °C(lit.)
Dichte: 0.885 g/mL · 0.885 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.523(lit.)
Flammpunkt: 218 °F · 218 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform
Aggregatzustand: Oil
Farbe: Pale Yellow
Wichte: 0.89 · 0.89
InChI: 1S/C13H16/c1-3-5-6-7-13-10-8-12(4-2)9-11-13/h2,8-11H,3,5-7H2,1H3
InChIKey: APGNXGIUUTWIRE-UHFFFAOYSA-N
SMILES: CCCCCc1ccc(cc1)C#C
CAS Datenbank: 79887 · 79887-10-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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, 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 2 reports by companies from 2 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 2 reports by companies.；There is 1 notification provided by 1 of 2 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.