1,1,3,3-Tetraethoxypropane

HCID 67147
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Basic information

CAS
122-31-6
Standard SMILES
CCOC(CC(OCC)OCC)OCC
InChIKey
KVJHGPAAOUGYJX-UHFFFAOYSA-N
Molecular formula
C11H24O4
Average molar mass
220.31 g/mol
Monoisotopic mass
220.16745925

Overview

structure

Names & identifiers

Preferred name
1,1,3,3-Tetraethoxypropane
IUPAC
1,1,3,3-tetraethoxypropane
English name
Malonaldehyde bis(diethyl acetal)
Molecular formula
C11H24O4
Molecular weight
220.31

Names & synonyms

1,1,3,3-Tetraethoxypropane122-31-6Malonaldehyde bis(diethyl acetal)Malonaldehyde tetraethyl acetalTetraethyl malondialdehyde acetalTetraethoxy propaneMalonaldehyde, bis(diethyl acetal)Malonaldehyde tetraethyl diacetalMalondialdehyde tetraethylacetalG7ZMW723R7DTXSID70153456RefChem:409623
Show more names
usafkf-26CAS NO 122-31-6malonaldehyde bisMalonaldehyde diethylTetraethoxypropane,95%1,1,3,3-Tetrathoxypropane
DTXCID5075947204-533-1TetraethoxypropanePropane, 1,1,3,3-tetraethoxy-Malonaldehyde diethyl acetalUSAF KF-26MFCD00009240NSC 17068

Database identifiers

CAS
122-31-6
PubChem CID
67147
DTXSID
DTXSID70153456
UNII
G7ZMW723R7
EC Number
204-533-1
Nikkaji
J36.835K

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
36.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
15

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Acetals
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionClear liquid; [Aldrich MSDS]

Physicochemical properties

Melting point
-90 °C · -90 °C
Boiling point
220 °C · 220 °C (lit.)
Density
0.919 g/mL · 0.919 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.411(lit.)
Flash point
190 °F · 190 °F
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Chemical: Propane, 1,1,3,3-tetraethoxy-

Malondialdehyde bis (diethyl acetal): Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA mild skin irritant; Causes muscle contraction or spasticity, dyspnea, and cyanosis in oral lethal-dose studies of rats; [RTECS] May cause irritation; Harmful by ingestion; [Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
rtecs
ON8750000
ridadr
1993
hs_code
29110000
Toxicity
LD50 orally in Rabbit: 1610 mg/kg

Chemistry & industry

Applications

UsesOrganic synthesis.

Uses1,1,3,3-Tetraethoxypropane has been used in the preparation of diazabicyclodecenes.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
南京科朗科技有限公司025-58748998 18951874644 · [email protected]

Related reactions

17 records
New reaction record

Compound notes

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