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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 21872Erstellt: 26. Oktober 2026

Oct-2-insure

OCT-2-YNOIC ACID · 2-OCTYNOIC ACID · 2-OCTANOIC ACID · 2-Octynoicacid,98% · 2-Octyn-1-oic acid · m-pentylpropiolate · m-Pentyl propiolate · RARECHEM AL BE 0742

https://huagongshe.com/de/chemical/21872

Molekülstruktur von Oct-2-insure

Identifikatoren & physikalische Daten

CAS No.5663-96-7
SummenformelC8H12O2
Durchschnittliche Molmasse140,18 g/mol
Monoisotopische Masse140,08372962 g/mol
SMILESCCCCCC#CC(=O)O
InChIKeyBQDKCWCMDBMLEH-UHFFFAOYSA-N
PubChem CID21872
ChEBICHEBI:60295
EC No.227-121-3
DTXSIDDTXSID50205205
Lokaler NameOct-2-insure

Chemische & physikalische Eigenschaften

XLogP2,8
Polarare Oberfläche (TPSA)37,3
H-Brücken-Donoren1
H-Brücken-Akzeptoren2
Frei drehbare Bindungen3
Schwere Atome10
Formalladung0
Komplexität159
Schmelzpunkt2-5 °C(lit.)
Siedepunkt148-149 °C19 mm Hg(lit.)
Dichte0.961 g/mL at 25 °C(lit.)
Brechungsindexn20/D 1.46(lit.)
Flammpunkt214 °F
LagerbedingungenSealed in dry,Room Temperature
pKa (Säurekonstante)2.45±0.10(Predicted)
Aggregatzustandliquid
FarbeYellow
CAS Datenbank5663-96-7(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungDangerH302+H312+H332 (40.8%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]H302 (94.4%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (94.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (40.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H332 (94.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]P260, P261, P264, P264+P265, P270, P271, 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 71 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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.
Hazard Classes and CategoriesAcute Tox. 4 (94.4%)Skin Corr. 1B (100%)Eye Dam. 1 (40.8%)
Wassergefährdungsklasse (WGK)3
UN-TransportnummerUN 3265 8/PG 2
Zollcode29161995
RTECS-Nr.RI2725000
R-Sätze (R)20/21/22-34
GefahrensymboleC
Sicherheitshinweise (S)26-27-36/37/39-45
Gefahrenklasse8
VerpackungsgruppeII