Propane, 1,1-diethoxy-

HCID 20858
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Basic information

CAS
4744-08-5
Standard SMILES
CCOC(CC)OCC
InChIKey
MBNMGGKBGCIEGF-UHFFFAOYSA-N
Molecular formula
C7H16O2
Average molar mass
132.2 g/mol
Monoisotopic mass
132.11502975

Names & identifiers

Preferred name
Propane, 1,1-diethoxy-
IUPAC
1,1-diethoxypropane
English name
PROPIONALDEHYDE DIETHYL ACETAL
Molecular formula
C7H16O2
Molecular weight
132.2

Names & synonyms

Propionaldehyde diethyl acetal1,1-DIETHOXYPROPANE4744-08-5Propane, 1,1-diethoxy-PropanaldiethylacetalPropanal diethyl acetalPropionaldehyde, diethyl acetalDiethyl propionalEINECS 225-257-8NSC 227930DTXSID8063593Propionaldehyde, diethyl acetal (8CI)
Show more names
1,1-diethoxy-propan4-Ethyl-3,5-dioxaheptanepropylene glycol diethyl etherPropionaldehydeDiethylAcetal>Propionaldehyde diethyl acetal,97%Propionaldehyde diethyl acetal 97%
RefChem:868807DTXCID8040567225-257-8944H8XF5QDNSC-227930PROPIONALDEHYDEDIETHYLACETALMFCD00009245Propane,1-diethoxy-

Database identifiers

CAS
4744-08-5
PubChem CID
20858
DTXSID
DTXSID8063593
UNII
944H8XF5QD
EC Number
225-257-8
Nikkaji
J24.142C

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
9

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Propanal diethyl acetal) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances

Physicochemical properties

Boiling point
122.8 °C · 122.8 °C (lit.)
Density
0.815 g/mL · 0.815 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.389(lit.)
FLAVIS Number
6.069 · 06.069 | 1,1-Diethoxypropane
Flash point
55 °F · 55 °F
storage temp.
Flammables area

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 135 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: Propane, 1,1-diethoxy-

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

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

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

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 1989 3/PG 2
hs_code
29110000
risk_code
11

Chemistry & industry

Uses & manufacturing

Use ClassificationFragrance Ingredients
General Manufacturing InformationPropane, 1,1-diethoxy-: ACTIVE

Applications

UsesPropionaldehyde diethyl acetal was used as a reducing agent in the aerobic epoxidation of alkenes.

Upstream & downstream products

Suppliers76 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]

Related reactions

20 records
New reaction record

Compound notes

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