Oct-2-insure

2-Octynoic acid

HCID 21872CAS 5663-96-7
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CCCCCC#CC(=O)O
InChIKey
BQDKCWCMDBMLEH-UHFFFAOYSA-N
Summenformel
C8H12O2
Durchschnittliche Molmasse
140,18 g/mol
Monoisotopische Masse
140,08372962

Namen und Bezeichner

Bevorzugter Name
2-Octynoic acid
IUPAC
oct-2-ynoic acid
Lokaler Name
Oct-2-insure
Englischer Name
2-OCTYNOIC ACID
Summenformel
C8H12O2
Molmasse
140.18

Namen und Synonyme

2-OCTYNOIC ACID5663-96-72-Octyn-1-oic acidPentylpropiolic acidI7TMI3HR1YCHEBI:60295NSC-75855DTXSID50205205RefChem:88882DTXCID10127696227-121-3Oct-2-ynoic acid
Weitere Namen anzeigen
2-OCTANOIC ACID2-Octynoicacid,98%m-pentylpropiolateRARECHEM AL BE 07422-OCTYNOIC ACID 96%META-PENTYLPROPIOLATE
m-Pentyl propiolatePropiolic acid, pentyl-Propiolic acid, pentyl esterMFCD000043642-OAEINECS 227-121-3NSC 75855BRN 1751225

Datenbank-Bezeichner

CAS
5663-96-7
PubChem CID
21872
DTXSID
DTXSID50205205
ChEBI
CHEBI:60295
UNII
I7TMI3HR1Y
EC Number
227-121-3
Nikkaji
J42.536B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,8
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
10

Physikochemische Eigenschaften

Schmelzpunkt
2 · 2-5 °C(lit.)
Siedepunkt
148 · 148-149 °C19 mm Hg(lit.)
Dichte
0.961 g/mL · 0.961 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.46(lit.)
Flammpunkt
214 °F · 214 °F
storage temp.
Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302+H312+H332 (40.8%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (94.4%)；Acute Tox. 4 (94.4%)；Skin Corr. 1B (100%)；Eye Dam. 1 (40.8%)；Acute Tox. 4 (94.4%)

Sicherheitsdaten

wgk
3
ridadr
UN 3265 8/PG 2
hs_code
29161995
RTECS-Nr.
RI2725000
risk_code
20/21/22-34
hazard_code
C

Chemie und Industrie

Anbieter35 Anbieter

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: Octanoic acid (caprylic acid) which has been doubly dehydrogenated at positions 2 and 3 to give the corresponding alkynoic acid. It is widely used in perfumes, lipstick, and many common food flavourings.

Zugehörige Reaktionen

3
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…