Pentanal, 5,5-dimethoxy-

HCID 170903

Notes Reactions

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Basic information

CAS: 50789-30-5
Standard SMILES: COC(CCCC=O)OC
InChIKey: USXHLNDEUDDSKZ-UHFFFAOYSA-N
Molecular formula: C7H14O3
Average molar mass: 146.18 g/mol
Monoisotopic mass: 146.09429431

Names & identifiers

Preferred name: Pentanal, 5,5-dimethoxy-
IUPAC: 5,5-dimethoxypentanal
English name: 5,5-dimethoxyvaleraldehyde
Molecular formula: C7H14O3
Molecular weight: 146.18

Names & synonyms

5,5-dimethoxypentanal50789-30-5Pentanal, 5,5-dimethoxy-5,5-DimethoxyvaleraldehydeEINECS 256-763-75,5-Dimethoxy-1-pentanalDTXSID4068581RefChem:859863DTXCID6040907256-763-75,5-dimethoxypen-tanalSCHEMBL198865

Show more names

ACA78930AKOS006228520NS00032144EN300-96124

Database identifiers

CAS: 50789-30-5
PubChem CID: 170903
DTXSID: DTXSID4068581
EC Number: 256-763-7
Nikkaji: J351.073E

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 10
Formal charge: 0
Complexity: 78.9

Physicochemical properties

Boiling point: 57 °C · 57 °C(Press: 1 Torr)
Density: 0.9827 g/cm3 · 0.9827 g/cm3(Temp: 30 °C)
EPA Substance Registry System: 5 · Pentanal, 5,5-dimethoxy- (50789-30-5)
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319-H226
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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, 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS02,GHS07
Hazard statements: H335-H315-H319-H226
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P