Basic information
- CAS
5406-58-6- Standard SMILES
CC1(C)COC(C)(c2ccccc2)OC1- InChIKey
AALXTPRRKXUUOM-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- 2,5,5-Trimethyl-2-phenyl-1,3-dioxane
- IUPAC
- 2,5,5-trimethyl-2-phenyl-1,3-dioxane
- English name
- 2,5,5-trimethyl-2-phenyl-1,3-dioxane
- Molecular formula
- C13H18O2
- Molecular weight
- 206.28
Names & synonyms
2,5,5-Trimethyl-2-phenyl-1,3-dioxane5406-58-61,3-Dioxane, 2,5,5-trimethyl-2-phenyl-m-Dioxane, 2,5,5-trimethyl-2-phenyl-UNII-2P1XRA5CRY2P1XRA5CRYNSC 7039NSC-7039EINECS 226-466-7DTXSID4052188RefChem:82657DTXCID4030758
Show more names
sandal glycol acetal1,3-Dioxane,2,5,5-trimethyl-2-phenyl-(9CI)
m-Dioxane, 2,5,5-trimethyl-2-phenyl-(8CI)226-466-7NSC7039SCHEMBL873359orb1986778SCHEMBL27685257AALXTPRRKXUUOM-UHFFFAOYSA-Nm-Dioxane,5,5-trimethyl-2-phenyl-
Database identifiers
- CAS
5406-58-6- PubChem CID
- 79409
- DTXSID
DTXSID4052188- UNII
- 2P1XRA5CRY
- EC Number
- 226-466-7
- Nikkaji
- J135.012I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 207
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2,5,5-Trimethyl-2-phenyl-1,3-dioxane) -> IFRA transparency List
Physicochemical properties
- Odor
- 100 % · at 100.00 %. woody sandalwood camphor methyl acetophenone sweet
- Odor Type
- woody
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.039 · 3.039 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 P1XRA5CRY · 2P1XRA5CRY
- EPA Substance Registry System
- 1 · 1,3-Dioxane, 2,5,5-trimethyl-2-phenyl- (5406-58-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 1,3-Dioxane, 2,5,5-trimethyl-2-phenyl-
Other Safety InformationIMAP assessments - 1,3-Dioxane, 2,5,5-trimethyl-2-phenyl-: Environment tier I assessment
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information1,3-Dioxane, 2,5,5-trimethyl-2-phenyl-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers6 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
BOC Sciences[email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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