1,1-Dimethoxypropane

HCID 20859

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Basic information

CAS: 4744-10-9
Standard SMILES: CCC(OC)OC
InChIKey: UIOXNNAWANDJCZ-UHFFFAOYSA-N
Molecular formula: C5H12O2
Average molar mass: 104.15 g/mol
Monoisotopic mass: 104.08372962

Names & identifiers

Preferred name: 1,1-Dimethoxypropane
IUPAC: 1,1-dimethoxypropane
English name: Propionaldehyde dimethyl acetal
Molecular formula: C5H12O2
Molecular weight: 104.15

Names & synonyms

1,1-DIMETHOXYPROPANEPropanal dimethyl acetalPropane, 1,1-dimethoxy-3-Ethyl-2,4-dioxapentanePropionaldehyde, dimethyl acetal1,1--DimethoxypropaneUIOXNNAWANDJCZ-UHFFFAOYSA-DTXSID60197142EINECS 225-258-3AI3-28233RefChem:71094DTXCID70119633

Show more names

PropionaldehydeDimethylAcetal>1,1-Dimethoxypropane , Propionaldehyde Dimethyl Acetal

225-258-3InChI=1/C5H12O2/c1-4-5(6-2)7-3/h5H,4H2,1-3H3UIOXNNAWANDJCZ-UHFFFAOYSA-NPropionaldehyde Dimethyl Acetal4744-10-9MFCD000593074VV73VDA7TSCHEMBL26029

Database identifiers

CAS: 4744-10-9
PubChem CID: 20859
DTXSID: DTXSID60197142
UNII: 4VV73VDA7T
EC Number: 225-258-3
Nikkaji: J100.766A

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 33.1

Experimental & physicochemical properties

Flavoring AgentsEU Flavoring substances

Physicochemical properties

Boiling point: 89 °C · 89°C
Density: 0 · 0,85 g/cm3
refractive index: 1.378 · 1.3780-1.3810
FLAVIS Number: 6.076 · 06.076 | 1,1-Dimethoxypropane
Flash point: 10 °C · 10°C
form: clear liquid
color: Colorless to Almost colorless
LogP: 0.512 · 0.512 (est)
FDA UNII: 4 VV73VDA7T · 4VV73VDA7T
Symbol(GHS): 2 · GHS02
Signal word: Danger
Hazard statements: 225 · H225
Precautionary statements: 210 · P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Risk Statements: 11 · 11
Safety Statements: 26 · 26-36/37/39
RIDADR: 1993 · 1993
HazardClass: 3.1 · 3.1
PackingGroup: II
HS Code: 2909199090 · 2909199090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, 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.

Hazard information

Regulatory Information · 2 items

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Propane, 1,1-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

ridadr: 1993
hs_code: 2909199090
risk_code: 11
Signal word: Danger
Symbol(GHS): GHS02
safety_code: 26-36/37/39
hazard_class: 3.1
packing_group: II
Hazard statements: H225
Precautionary statements: P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501