Hexanal dihexyl acetal
Basic information
- CAS
33673-65-3- Standard SMILES
CCCCCCOC(CCCCC)OCCCCCC- InChIKey
JAMIQGJXDPTFJL-UHFFFAOYSA-N- Molecular formula
- C18H38O2
- Average molar mass
- 286.5 g/mol
- Monoisotopic mass
- 286.28718045
Names & identifiers
- Preferred name
- Hexanal dihexyl acetal
- IUPAC
- 1,1-dihexoxyhexane
- English name
- 1,1-bis(hexyloxy)hexane
- Molecular formula
- C18H38O2
- Molecular weight
- 286.49312
Names & synonyms
hexanal dihexyl acetal1,1-Bis(hexyloxy)hexaneHexane, 1,1-bis(hexyloxy)-EINECS 251-631-5UNII-89PUE1O50889PUE1O508FEMA NO. 4370DTXSID30187353HEXANAL DIHEXYL ACETAL [FHFI]FEMA NO. 4369, 1,1-DIHEXOXY-RefChem:146096DTXCID40109844
Show more names
1,1-DIHEXYLOXYHEXANEHEXYLALDEHYDEDIHEXYLACETAL
1,1-dihexoxyhexane33673-65-31,1-Bis(hexyloxy)-HexaneSCHEMBL873033JAMIQGJXDPTFJL-UHFFFAOYSA-NNS00022066Q27270055
Database identifiers
- CAS
33673-65-3- PubChem CID
- 118530
- DTXSID
DTXSID30187353- UNII
- 89PUE1O508
- EC Number
- 251-631-5
- Nikkaji
- J260.957F
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
FragrancesFragrance Ingredient (1,1-Dihexyloxyhexane) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.838-0.844
Solubility
Insoluble in water; soluble in organic solvents
Soluble (in ethanol)
Boiling Point326-327 °C
Refractive Index1.431-1.436
Physical DescriptionClear, colourless liquid; Mild, green, grassy aroma
Physicochemical properties
- FEMA
- 4370 · 4370 | HEXANAL DIHEXYL ACETAL
- Odor
- 100 % · at 100.00 %. mild green grassy
- Odor Type
- green
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Hexane, 1,1-bis(hexyloxy)-
Other Safety InformationIMAP assessments - Hexane, 1,1-bis(hexyloxy)-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2909199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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