Basic information
- CAS
69178-43-4- Standard SMILES
CCOC(CCCCC(C)C)OCC- InChIKey
UGEOLDGWHXDZBP-UHFFFAOYSA-N- Molecular formula
- C12H26O2
- Average molar mass
- 202.33 g/mol
- Monoisotopic mass
- 202.19328007
Overview
a fragrance component
Names & identifiers
- Preferred name
- 1,1-Diethoxyisooctane
- IUPAC
- 1,1-diethoxy-6-methylheptane
- English name
- ISOVERTAL 411 L
- Molecular formula
- C12H26O2
- Molecular weight
- 202.33
Names & synonyms
Isooctane, 1,1-diethoxy-69178-43-41,1-DiethoxyisooctaneDTXSID0071966RefChem:149649DTXCID7046467273-905-31,1-diethoxy-6-methylheptaneiso-Octanal diethylacetalEINECS 273-905-3isooctanal diethyl acetalUGEOLDGWHXDZBP-UHFFFAOYSA-N
Show more names
ISOVERTAL 411 L1,1-diethoxy-isooctan1,1-diethoxy-Isooctaneiso-Octanaldiethylacetalbasis:Isooctanaldiethylacetal1,1-Diethoxy-2,2,4-trimethylpentane
NS00012713
Database identifiers
- CAS
69178-43-4- PubChem CID
- 112252
- DTXSID
DTXSID0071966- EC Number
- 273-905-3
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.923 · 3.923 (est)
- EPA Substance Registry System
- 1 · Isooctane, 1,1-diethoxy- (69178-43-4)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- TSCA
- TSCA listed
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
H226 (100%): Flammable liquid and vapor [Warning 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 116 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Isooctane, 1,1-diethoxy-
Other Safety InformationIMAP assessments - Isooctane, 1,1-diethoxy-: Human health tier I assessment
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- Hazard statements
- H226
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationIsooctane, 1,1-diethoxy-: INACTIVE
Suppliers2 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
BOC Sciences[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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