3,3-Dimethylbuten
3,3-Dimethyl-1-butene
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Grundinformationen
- CAS
558-37-2- Standard-SMILES
C=CC(C)(C)C- InChIKey
PKXHXOTZMFCXSH-UHFFFAOYSA-N- Summenformel
- C6H12
- Durchschnittliche Molmasse
- 84,16 g/mol
- Monoisotopische Masse
- 84,09390038
Namen und Bezeichner
- Bevorzugter Name
- 3,3-Dimethyl-1-butene
- IUPAC
- 3,3-dimethylbut-1-ene
- Lokaler Name
- 3,3-Dimethylbuten
- Englischer Name
- 3,3-Dimethyl-1-butene
- Summenformel
- C6H12
- Molmasse
- 84.16
Namen und Synonyme
3,3-DIMETHYL-1-BUTENE558-37-2Neohexene3,3-Dimethylbut-1-enetert-Butylethylene1-Butene, 3,3-dimethyl-tert-Butylethenetert-HexeneTrimethylvinylmethane3,3-Dimethylbutene2,2-Dimethyl-3-butene3,3-Dimethy-1-butene
Weitere Namen anzeigen
(CH3)3CCH=CH23,3-DiMethylbut-1-en
UNII-01ZB73D2KKMFCD00008853NSC 7411901ZB73D2KKDTXSID1027211EINECS 209-195-93,3-Dimethyl-1-butene;NeohexeneNSC-74119
Datenbank-Bezeichner
- CAS
558-37-2- PubChem CID
- 11210
- DTXSID
DTXSID1027211- ChEMBL
CHEMBL3183368- UNII
- 01ZB73D2KK
- EC Number
- 209-195-9
- Nikkaji
- J38.822J
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 45,5
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesCoriolis coupling
Vapor Pressure431.0 [mmHg]
Physical Description
Liquid
Colorless liquid; bp= 40-41 deg C; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -115 °C · -115 °C (lit.)
- Siedepunkt
- 41 °C · 41 °C (lit.)
- Dichte
- 0.653 g/mL · 0.653 g/mL at 25 °C (lit.)
- Dampfdichte
- 1 · >1 (vs air)
- Dampfdruck
- 6.96 psi · 6.96 psi ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.376(lit.)
- Flammpunkt
- 20 °F · −20 °F
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, 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 69 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1-Butene, 3,3-dimethyl-
1-Butene, 3,3-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butene, 3,3-dimethyl- 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)
3,3-Dimethyl-1-butene: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Depression noted in rats 1 hour after receiving 5 gm/kg by oral gavage; Rats were prostrate, but no rats died during inhalation exposure to 51,000 ppm for 4 hours; No evidence of skin sensitization in guinea pigs and no evidence of reproductive or developmental toxicity; [EPA ChAMP: C6 Summaries] An irritant; Harmful by ingestion (may cause lung damage by aspiration); [Alfa Aesar MSDS] See 3-Methyl-1-butene.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Toxikologische Informationen
Chemie und Industrie
Verwendung und Herstellung
UsesUsed as a chemical intermediate; [EPA ChAMP]
U.S. Production2023: 654,414 lb
Industry UsesFuel
General Manufacturing Information
Non-metallic Mineral Product Manufacturing (includes clay, glass, cement, concrete, lime, gypsum, and other non-metallic mineral product manufacturing)
1-Butene, 3,3-dimethyl-: ACTIVE
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
18
Notizen zur Verbindung
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