Grundinformationen
- CAS
594-56-9- Standard-SMILES
C=C(C)C(C)(C)C- InChIKey
AUYRUAVCWOAHQN-UHFFFAOYSA-N- Summenformel
- C7H14
- Durchschnittliche Molmasse
- 98,19 g/mol
- Monoisotopische Masse
- 98,10955045
Namen und Bezeichner
- Bevorzugter Name
- 2,3,3-Trimethylbut-1-ene
- IUPAC
- 2,3,3-trimethylbut-1-ene
- Lokaler Name
- 2,3,3-Trimethylbut-1-en
- Englischer Name
- 2,3,3-TRIMETHYL-1-BUTENE
- Summenformel
- C7H14
- Molmasse
- 98.19
Namen und Synonyme
2,3,3-TRIMETHYL-1-BUTENE594-56-92,3,3-Trimethylbut-1-ene1-Butene, 2,3,3-trimethyl-EINECS 209-845-1DTXSID80208123NSC 73922RefChem:441596DTXCID00130614209-845-1InChI=1/C7H14/c1-6(2)7(3,4)5/h1H2,2-5HMFCD00008850
Weitere Namen anzeigen
TripteneTrimethylbutene2,2,3-trimethylbut-1-ene2,3,3-trimethyl-but-1-ene2,3,3-Trimethyl-1-butene >2,3,3-Trimethyl-1-butene 98%1-tert-butyl-1-methylethylene
NSC739222,3-Trimethyl-1-butene1-Butene,3,3-trimethyl-SCHEMBL515192SCHEMBL515193SCHEMBL4828330SCHEMBL9424611(CH3)3CC(CH3)=CH2
Datenbank-Bezeichner
- CAS
594-56-9- PubChem CID
- 11669
- DTXSID
DTXSID80208123- EC Number
- 209-845-1
- Nikkaji
- J96.153A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 72
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
636.2；627；633.3；631.65；638；640；643；639.1；641.4；634；634；632；630；631；633；632；634；637；636；636
626；626；628.6；630.9；632；628；631；629；626；629；631；633；621；627.1；630
Physikochemische Eigenschaften
- Schmelzpunkt
- -109.85 °C · -109.85°C
- Siedepunkt
- 78 · 78-80 °C(lit.)
- Dichte
- 0.705 g/mL · 0.705 g/mL at 25 °C(lit.)
- Dampfdichte
- 3.39 · 3.39 (vs air)
- Dampfdruck
- 190 mm · 190 mm Hg ( 37.7 °C)
- Brechungsindex
- 20 · n20/D 1.402(lit.)
- Flammpunkt
- 1 °F · 1 °F
- storage temp.
- Flammables area
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless
- Henry's Law Constant
- 1.9 · 1.9×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
- InChI
- 1S/C7H14/c1-6(2)7(3,4)5/h1H2,2-5H3
- InChIKey
- AUYRUAVCWOAHQN-UHFFFAOYSA-N
- SMILES
- CC(=C)C(C)(C)C
- CAS Datenbank
- 594 · 594-56-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 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 CategoriesFlam. Liq. 2 (100%)；Skin Irrit. 2 (97.6%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3295 3/PG 2
- hs_code
- 29012900
- risk_code
- 11-36/37/38
- hazard_code
- F,Xi
- safety_code
- 16-26-36/37/39
- hazard_class
- 3.1
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- Selbstentzündungstemperatur
- 707 °F
Chemie und Industrie
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
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