Basic information
- CAS
5669-09-0- Standard SMILES
CC(C)COC(C)OCC(C)C- InChIKey
KIELJSVPUISYCI-UHFFFAOYSA-N- Molecular formula
- C10H22O2
- Average molar mass
- 174.28 g/mol
- Monoisotopic mass
- 174.16197994
Names & identifiers
- Preferred name
- Acetaldehyde di-isobutylacetal
- IUPAC
- 2-methyl-1-[1-(2-methylpropoxy)ethoxy]propane
- English name
- 1,1'-[ethylidenebis(oxy)]bis[2-methylpropane]
- Molecular formula
- C10H22O2
- Molecular weight
- 174.28048
Names & synonyms
5669-09-0Acetaldehyde di-isobutylacetalAcetaldehyde, diisobutyl acetal1,1-diisobutoxyethane1,1'-[ethylidenebis(oxy)]bis[2-methylpropane]acetaldehyde diisobutylacetalEINECS 227-129-71K100428BBAcetaldehyde di(2-methylpropyl) acetalAI3-225211,1'-(Ethylidenebis(oxy))bis(2-methylpropane)Propane, 1,1'-(ethylidenebis(oxy))bis(2-methyl-
Show more names
1,1-DI-ISOBUTOXYETHANE1-(1-isobutoxyethoxy)-2-methyl-propanePropane, 1,1-ethylidenebis(oxy)bis2-methyl-
Propane, 1,1'-[ethylidenebis(oxy)]bis[2-methyl-FEMA NO. 4527DTXSID70205247ETHANE, 1,1-DIISOBUTOXY-RefChem:551483DTXCID70127738227-129-72-methyl-1-[1-(2-methylpropoxy)ethoxy]propane
Database identifiers
- CAS
5669-09-0- PubChem CID
- 79753
- DTXSID
DTXSID70205247- UNII
- 1K100428BB
- EC Number
- 227-129-7
- Nikkaji
- J102.466C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 88
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 245.28 °C · 245.28°C (rough estimate)
- Density
- 0.82 · 0.8200
- refractive index
- 1.4021 · 1.4021 (estimate)
- FEMA
- 4527 · 4527 | ACETALDEHYDE DI-ISOBUTYLACETAL
- FLAVIS Number
- 6.053 · 06.053 | 1,1-Di-isobutoxyethane
- form
- liquid
- JECFA Number
- 2303 · 2303
- InChI
- 1S/C10H22O2/c1-8(2)6-11-10(5)12-7-9(3)4/h8-10H,6-7H2,1-5H3
- InChIKey
- KIELJSVPUISYCI-UHFFFAOYSA-N
- SMILES
- CC(C)COC(C)OCC(C)C
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Propane, 1,1'-[ethylidenebis(oxy)]bis[2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- wgk
- WGK 3
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Uses & manufacturing
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Suppliers10 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Aladdin Scientific[email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
BOC Sciences[email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
广州安纳医药科技有限公司020-86211473 13925088720 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…