Dioxanone
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Basic information
- CAS
3041-16-5- Standard SMILES
O=C1COCCO1- InChIKey
VPVXHAANQNHFSF-UHFFFAOYSA-N- Molecular formula
- C4H6O3
- Average molar mass
- 102.09 g/mol
- Monoisotopic mass
- 102.03169405
Names & identifiers
- Preferred name
- Dioxanone
- IUPAC
- 1,4-dioxan-2-one
- English name
- 1,4-Dioxan-2-one
- Molecular formula
- C4H6O3
- Molecular weight
- 102.09
Names & synonyms
1,4-Dioxan-2-one3041-16-5DioxanoneDTXSID801336935RefChem:1083753DTXCID801379945608-477-2970-482-3p-Dioxanone2-p-Dioxanonep-DIOXAN-2-ONE4-Dioxanone
Show more names
4-Dioxan-2-one2-Oxo-1,4-dioxanePARA-DIOXANE-2-ONE
MFCD002158551,4-Dioxan-2-one, homopolymerHLS754O457NSC-60534para-dioxanone(2-Hydroxyethoxy)acetic acic gamma-lactoneNSC 60534BRN 0383602
Database identifiers
- CAS
3041-16-5、3041-74-5- PubChem CID
- 18233
- DTXSID
DTXSID801336935- UNII
- HLS754O457
- EC Number
- 608-477-2、970-482-3
- Nikkaji
- J42.119G
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 79
Physicochemical properties
- Melting point
- 28 °C · 28°C(lit.)
- Boiling point
- 215 °C · 215°C(lit.)
- Density
- 1.1717 · 1.1717 (rough estimate)
- vapor pressure
- 11 · 11-19Pa at 20-25℃
- refractive index
- 1.454 · 1.4540 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Acetonitrile (Slightly), Chloroform (Sparingly), Ethyl Acetate (Slightly)
- form
- Solid
- color
- White to Off-White
- InChI
- InChI=1S/C4H6O3/c5-4-3-6-1-2-7-4/h1-3H2
- InChIKey
- VPVXHAANQNHFSF-UHFFFAOYSA-N
- SMILES
- O1CCOCC1=O
- LogP
- 0.3 at · 0.3 at pH7
- CAS DataBase Reference
- 3041 · 3041-16-5
- EWG's Food Scores
- 1 · 1
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
Danger
H318 (99.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 109 reports by companies from 5 notifications to the ECHA C&L Inventory.
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Hazard information
Regulatory InformationStatus: Active Update: 24-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28337
Hazard Classes and Categories
Eye Dam. 1 (99.1%)
Eye Dam. 1 (100%)
Safety data
- rtecs
- JH2290000
- ridadr
- 1993
- hs_code
- 2932.20.5050
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 3
- packing_group
- Ⅱ
- Hazard statements
- H318
- REACH Registrations
- Active
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses1,4-Dioxan-2-one is used in the synthesis of novel copolymers and tri-block polymers.
Upstream & downstream products
Upstream raw materials
Related reactions
29 records
Compound notes
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