CAS 34880-43-8 2-Propylhept-2-enal (HCID 118745)

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Basic information

CAS: 34880-43-8
Standard SMILES: CCCCC=C(C=O)CCC
InChIKey: GADNZGQWPNTMCH-UHFFFAOYSA-N
Molecular formula: C10H18O
Average molar mass: 154.25 g/mol
Monoisotopic mass: 154.1357652

Overview

See also: 2-Heptenal, 2-propyl- (annotation moved to).

Names & identifiers

Preferred name: 2-Propylhept-2-enal
IUPAC: 2-propylhept-2-enal
English name: 2-Propyl-2-heptenal
Molecular formula: C10H18O
Molecular weight: 154.25

Names & synonyms

2-Propylhept-2-enalRefChem:483277252-268-52-Propylheptenal2-n-propyl-2-heptenalSCHEMBL381857AKOS030239842NS000297452-Heptenal, 2-propyl-Brivaracetam Impurity 1432-Propyl-2-heptenal (Technical Grade)

Database identifiers

CAS: 34880-43-8
PubChem CID: 118745
DTXSID: DTXSID2067876
EC Number: 252-268-5

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 11
Formal charge: 0
Complexity: 125

Physicochemical properties

Boiling point: 208 · 208-209 °C
Density: 0.851 g/mL · 0.851 g/mL at 20 °C(lit.)
refractive index: 20 · n20/D 1.457
Flash point: 125 °C · 125 °C
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Oil
color: Clear Colourless
EPA Substance Registry System: 2 · 2-Heptenal, 2-propyl- (34880-43-8)
Safety Statements: 23 · 23-24/25
WGK Germany: 3 · 3
F: 10 · 10-23
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P272, P280, P302+P352, P303+P361+P353, P321, P333+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.