(2E)-3-Methyl-2-penten-4-yn-1-ol

HCID 5367604

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Basic information

CAS: 6153-06-6
Standard SMILES: C#C/C(C)=C/CO
InChIKey: ZSJHASYJQIRSLE-GQCTYLIASA-N
Molecular formula: C6H8O
Average molar mass: 96.129 g/mol
Monoisotopic mass: 96.05751488

Names & identifiers

Preferred name: (2E)-3-Methyl-2-penten-4-yn-1-ol
IUPAC: (2E)-3-Methylpent-2-en-4-yn-1-ol
English name: (E)-3-Methylpent-2-en-4-yn-1-ol
Molecular formula: C6H8O
Molecular weight: 96.13

Names & synonyms

Enynic Alcoholtrans-3-Methyl-2-penten-4-ynol(E)-3-Methylpent-3-en-1-yn-5-ol(E)-3-methyl-1-pent-2-en-4-ynol(E)-3-Methylpent-2-en-4-yn-1-ol(E)-3-Methyl-2-penten-4-yn-1-olTrans-3-Methyl-2-Penten-4-Yn-1-Oltrans-3-Methyl-2-pentene-4-yn-1-ol2-Penten-4-yn-1-ol, 3-methyl-, (2E)-trans-3-Methyl-2-penten-4-yn-1-ol, GC 90%

Database identifiers

CAS: 6153-06-6
PubChem CID: 5367604
DTXSID: DTXSID501334885
UNII: 71839QU48O
EC Number: 228-169-8
Nikkaji: J211.421F、J5.042C

Properties

Physicochemical properties

Boiling point: 171 °C · 171°C
Density: 0.94 · 0.940
refractive index: 1.4445 · 1.4445-1.4465
Flash point: 65 °C · 65°C
pka: 13.8 · 13.80±0.10(Predicted)
InChI: InChI=1S/C6H8O/c1-3-6(2)4-5-7/h1,4,7H,5H2,2H3/b6-4+
InChIKey: ZSJHASYJQIRSLE-GQCTYLIASA-N
SMILES: C(O)/C=C(\C)/C#C
FDA UNII: 71839 QU48O · 71839QU48O
Symbol(GHS): 2 · GHS02,GHS06
Signal word: Danger
Hazard statements: 226 · H226-H301+H311+H331-H319
Precautionary statements: 210 · P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P280-P301+P310+P330-P303+P361+P353-P304+P340+P311-P305+P351+P338-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26-37/39
RIDADR: 1760 · UN 1760
REACH Registrations: Active

Safety & regulation

Safety data

ridadr: UN 1760
risk_code: 22-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS06
hazard_code: Xn
safety_code: 26-37/39
Hazard statements: H226-H301+H311+H331-H319
REACH Registrations: Active
Precautionary statements: P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P280-P301+P310+P330-P303+P361+P353-P304+P340+P311-P305+P351+P338-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501