1,3-Dioxolane, 2-(1-ethylpentyl)-
Basic information
- CAS
4359-47-1- Standard SMILES
CCCCC(CC)C1OCCO1- InChIKey
LQSZQAHPRJMRET-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- 1,3-Dioxolane, 2-(1-ethylpentyl)-
- IUPAC
- 2-heptan-3-yl-1,3-dioxolane
- English name
- 2-Ethyl hexanal:cycloglycol acetal
- Molecular formula
- C10H20O2
- Molecular weight
- 172.26
Names & synonyms
1,3-Dioxolane, 2-(1-ethylpentyl)-4359-47-12-(1-Ethylpentyl)-1,3-dioxolane2-(3-Heptyl)-1,3-dioxolane2-Ethylhexanal ethyleneglycol cyclic acetalEINECS 224-436-8DTXSID80863377RefChem:414873DTXCID60812005224-436-82-heptan-3-yl-1,3-dioxolane2-(heptan-3-yl)-1,3-dioxolane
Show more names
2-Ethylhexanal ethylene glycol acetalSYVERTALgreen dioxolaneRARECHEM AL BP 01362-1-Ethylpentyl-1,3-dioxane2-(1-Ethylpentyl)-1,3-dioxane2-(1-ethylpentyl)-3-dioxolane
2-ETHYL HEXANAL:CYCLOGLYCOL ACETALSCHEMBL1472438LQSZQAHPRJMRET-UHFFFAOYSA-NAKOS006273300DB-391255NS00012449
Database identifiers
- CAS
4359-47-1- PubChem CID
- 107271
- DTXSID
DTXSID80863377- EC Number
- 224-436-8、945-844-9
- Nikkaji
- J205.738G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 108
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2-(3-Heptyl)-1,3-dioxolane) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 200.7 · 200.7±8.0 °C(Predicted)
- Density
- 0.911 · 0.911
- vapor pressure
- 19.6 Pa · 19.6Pa at 24℃
- Odor
- 10 % · at 10.00 % in dipropylene glycol. green fruity radish chrysanthemum gardenia metallic
- Odor Type
- green
- Water Solubility
- 130.8 mg/L · 130.8mg/L at 24℃
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 4.3 at · 4.3 at 25℃
- EPA Substance Registry System
- 1 · 1,3-Dioxolane, 2-(1-ethylpentyl)- (4359-47-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
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
This chemical does not meet GHS hazard criteria for 99% (1515 of 1530) of all reports.
Not Classified
Aggregated GHS information provided per 1530 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,3-Dioxolane, 2-(1-ethylpentyl)-
REACH registered substance: 2-(1-ethylpentyl)-1,3-dioxolane (EC: 224-436-8)
1,3-Dioxolane, 2-(1-ethylpentyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H412
- REACH Registrations
- Active
- Precautionary statements
- P273-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 2 consumer products that contain 2-Ethylpentyl-1,3-Dioxolane in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information1,3-Dioxolane, 2-(1-ethylpentyl)-: ACTIVE
Suppliers
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Related reactions
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Compound notes
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