4-Methyl-2-propyl-1,3-dioxolane
Basic information
- CAS
4352-99-2- Standard SMILES
CCCC1OCC(C)O1- InChIKey
WRTYJFJOOTWPJP-UHFFFAOYSA-N- Molecular formula
- C7H14O2
- Average molar mass
- 130.18 g/mol
- Monoisotopic mass
- 130.09937969
Names & identifiers
- Preferred name
- 4-Methyl-2-propyl-1,3-dioxolane
- IUPAC
- 4-methyl-2-propyl-1,3-dioxolane
- English name
- 2-Propyl-4-methyl-1,3-dioxolane
- Molecular formula
- C7H14O2
- Molecular weight
- 130.18
Names & synonyms
4-Methyl-2-propyl-1,3-dioxolane4352-99-21,3-Dioxolane, 4-methyl-2-propyl-2-Propyl-4-methyl-1,3-dioxoolaneEINECS 224-420-0AI3-22812DTXSID80863372NSC 89713RefChem:99750DTXCID20812001224-420-0WRTYJFJOOTWPJP-UHFFFAOYSA-N
Show more names
BUTRALDEHYDE PROPYLENEGLYCOL ACETALBUTYRALDEHYDE-PROPYLENEGLYCOL-ACETAL1,3-Dioxolane, 4-methyl-2-propyl, trans2-PROPYL-4-METHYL-1 3-DIOXOLANE 98+% &2-Propyl-4-methyl-1,3-dioxolane, mixture of isomers
2-Propyl-4-methyl-1,3-dioxolaneNSC89713SCHEMBL1838332SCHEMBL11455699butyraldehyde propylene glycol acetalNSC-89713SBB060973AKOS024319088
Database identifiers
- CAS
4352-99-2- PubChem CID
- 98218
- DTXSID
DTXSID80863372- EC Number
- 224-420-0
- Nikkaji
- J205.728J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 137 °C · 137 °C (lit.)
- Density
- 0.906 g/mL · 0.906 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.412(lit.)
- FLAVIS Number
- 6.095 · 06.095 | 4-Methyl-2-propyl-1,3-dioxolane
- Flash point
- 89 °F · 89 °F
- biological source
- synthetic
- Major Application
- flavors and fragrances
- InChI
- 1S/C7H14O2/c1-3-4-7-8-5-6(2)9-7/h6-7H,3-5H2,1-2H3
- InChIKey
- WRTYJFJOOTWPJP-UHFFFAOYSA-N
- SMILES
- CCCC1OCC(C)O1
- LogP
- 1.637 · 1.637 (est)
- UNSPSC Code
- 12164502 · 12164502
- Symbol(GHS)
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 2.5% (1 of 40) of reports.
Warning
H226 (97.5%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1,3-Dioxolane, 4-methyl-2-propyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (97.5%)
Safety data
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- risk_code
- 10-36
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H226-H319
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3
Chemistry & industry
Applications
Usesflavors and fragrances
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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