Basic information
- CAS
63449-89-8- Standard SMILES
CCCCCC1OC(C)CC(C)(C)O1- InChIKey
PDQBOBGVXLUMTJ-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Names & identifiers
- Preferred name
- 1,3-Dioxane, 4,4,6-trimethyl-2-pentyl-
- IUPAC
- 4,4,6-trimethyl-2-pentyl-1,3-dioxane
- English name
- 4,4,6-trimethyl-2-pentyl-1,3-dioxane
- Molecular formula
- C12H24O2
- Molecular weight
- 200.32
Names & synonyms
4,4,6-Trimethyl-2-pentyl-1,3-dioxane63449-89-81,3-Dioxane, 4,4,6-trimethyl-2-pentyl-2-Pentyl-4,4,6-trimethyl-1,3-dioxaneEINECS 264-160-5DTXSID40886587NSC 23495RefChem:72775DTXCID501025911264-160-5turboxanNSC23495
Show more names
4,4,6-Trimethyl-2-pentyl-1,3-dioxan
SCHEMBL28846582PDQBOBGVXLUMTJ-UHFFFAOYSA-N1, 4,4,6-trimethyl-2-pentyl-NSC-23495DB-305177NS00013301
Database identifiers
- CAS
63449-89-8- PubChem CID
- 95613
- DTXSID
DTXSID40886587- EC Number
- 264-160-5
- Nikkaji
- J349.183H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 54 · 54-55 °C(Press: 2 Torr)
- Density
- 0.881 g/cm3 · 0.8810 g/cm3
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.775 · 3.775 (est)
- EPA Substance Registry System
- 1 · 1,3-Dioxane, 4,4,6-trimethyl-2-pentyl- (63449-89-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- 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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (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: 1,3-Dioxane, 4,4,6-trimethyl-2-pentyl-
1,3-Dioxane, 4,4,6-trimethyl-2-pentyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Dioxane, 4,4,6-trimethyl-2-pentyl-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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