Acetaldehyde, dibutyl acetal
Basic information
- CAS
871-22-7- Standard SMILES
CCCCOC(C)OCCCC- InChIKey
SWTCCCJQNPGXLQ-UHFFFAOYSA-N- Molecular formula
- C10H22O2
- Average molar mass
- 174.28 g/mol
- Monoisotopic mass
- 174.16197994
Names & identifiers
- Preferred name
- Acetaldehyde, dibutyl acetal
- IUPAC
- 1-(1-butoxyethoxy)butane
- English name
- 1,1'-[ethylidenebis(oxy)]dibutane
- Molecular formula
- C10H22O2
- Molecular weight
- 174.28
Names & synonyms
1-(1-Butoxyethoxy)butane871-22-71,1-DibutoxyethaneDibutyl acetalAcetaldehyde, dibutyl acetalDi-n-butyl acetalAcetaldehyde dibutyl acetal1,1-Di-n-butoxyethaneEthane, 1,1-dibutoxy-Butane, 1,1'-[ethylidenebis(oxy)]bis-1,1'-(Ethylidenebis(oxy))bisbutaneButane, 1,1'-(ethylidenebis(oxy))bis-
Show more names
Mitotane Impurity 13ACETALDEHYDEDIBUTYLACETAL1,1'-[Ethylidenbis(oxy)]dibutan1,1'-[Ethylene bis(oxy)]dibutaneButane, 1,1-ethylidenebis(oxy)bis-1,1'-[Ethylidenebis(oxy)]bis[butane
AI3-22404NSC 53141,1'-(Ethylidenebis(oxy))dibutaneEINECS 212-804-0BRN 16989221,1'-[ETHYLIDENEBIS(OXY)]DIBUTANEDTXSID00236125RefChem:551515
Database identifiers
- CAS
871-22-7- PubChem CID
- 79117
- DTXSID
DTXSID00236125- UNII
- D39LMG3LCC
- EC Number
- 212-804-0
- Nikkaji
- J33.408A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 73.9
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 245.28 °C · 245.28°C (rough estimate)
- Density
- 0.9048 · 0.9048 (rough estimate)
- refractive index
- 1.4095 · 1.4095 (estimate)
- FLAVIS Number
- 6.033 · 06.033 | 1,1-Dibutoxyethane
- storage temp.
- Store at room temperature
- Appearance
- Colorless to light yellow Liquid
- Odor
- 10 % · at 10.00 % in dipropylene glycol. floral rose green chloroform
- Odor Type
- floral
- InChI
- InChI=1S/C10H22O2/c1-4-6-8-11-10(3)12-9-7-5-2/h10H,4-9H2,1-3H3
- InChIKey
- SWTCCCJQNPGXLQ-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Butane, 1,1'-[ethylidenebis(oxy)]bis-
Butane, 1,1'-[ethylidenebis(oxy)]bis-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses1,1''-[Ethylidenebis(oxy)]bis[butane] is useful reagent for organic synthesis.
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Related reactions
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Compound notes
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