CAS 3390-13-4 2-Propyl-1,3-dioxolane (HCID 179832)

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Basic information

CAS: 3390-13-4
Standard SMILES: CCCC1OCCO1
InChIKey: JSDUOUVZQRZOOY-UHFFFAOYSA-N
Molecular formula: C6H12O2
Average molar mass: 116.16 g/mol
Monoisotopic mass: 116.08372962

Names & identifiers

Preferred name: 2-Propyl-1,3-dioxolane
IUPAC: 2-propyl-1,3-dioxolane
English name: Butanal ethylene acetal
Molecular formula: C6H12O2
Molecular weight: 116.16

Names & synonyms

2-Propyl-1,3-dioxolane3390-13-42-Propyldioxolane1,3-Dioxolane, 2-propyl-Butanal, cyclic 1,2-ethanediyl acetalDTXSID00276647RefChem:89308DTXCID90227901654-483-3JSDUOUVZQRZOOY-UHFFFAOYSA-N2-Propyl-1,3-dioxolane (Technical Grade)NSC-86115

Show more names

Butanal ethylene acetal

2-propyl dioxolaneNSC861151, 2-propyl-starbld0009875KP4Q6X9BWMButanal,2-ethanediyl acetalButyraldehyde ethylene acetalSCHEMBL26195

Database identifiers

CAS: 3390-13-4
PubChem CID: 179832
DTXSID: DTXSID00276647
UNII: KP4Q6X9BWM
EC Number: 654-483-3
Nikkaji: J132.816F

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 57

Experimental & physicochemical properties

Kovats Retention Index · 2 items

832；870；837；840

888

Physicochemical properties

solubility: Chloroform (Sparingly), Methanol (Slightly)
form: Oil
color: Colourless
Stability: Volatile
LogP: 1.102 · 1.102 (est)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H302
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2 (100%)

Safety data

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

Applications

Uses2-Propyl-1,3-dioxolane may be useful in the study on chemical components of volatile oils from leaves and stems of Albizia julibrissin Durazz.