1,3-Dioxan-5-ol

HCID 78475

Notes Reactions

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Basic information

CAS: 4740-78-7
Standard SMILES: OC1COCOC1
InChIKey: VCKSNYNNVSOWEE-UHFFFAOYSA-N
Molecular formula: C4H8O3
Average molar mass: 104.1 g/mol
Monoisotopic mass: 104.04734412

Names & identifiers

Preferred name: 1,3-Dioxan-5-ol
IUPAC: 1,3-dioxan-5-ol
English name: Glycerol formal
Molecular formula: C4H8O3
Molecular weight: 104.1

Names & synonyms

1,3-Dioxan-5-ol4740-78-75-Hydroxy-1,3-dioxanem-Dioxan-5-olGlycerol formal, alpha,alpha'UNII-F6UP32GBIIF6UP32GBII5-Hydroxy-m-dioxaneEINECS 225-248-9DTXSID20197128GLYCEROL FORMAL, .ALPHA.,.ALPHA'RefChem:72763

Show more names

Glycerol formalFormalGlycerolGlycerol F0rmalGlycerol formalα,α'-Glycerol formal

DTXCID30119619GLYCEROL FORMAL, ALPHA,.ALPHA'VCKSNYNNVSOWEE-UHFFFAOYSA-N1,3-FormalglycerolMFCD00014645Glycerol formal CRSGlycamal/Glycerol Formalalpha,.alpha'glycerol formal

Database identifiers

CAS: 4740-78-7
PubChem CID: 78475
DTXSID: DTXSID20197128
UNII: F6UP32GBII
EC Number: 225-248-9
Nikkaji: J262.422B

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 48.9

Experimental & physicochemical properties

SpringerMaterials PropertiesElectric dipole moment

Physicochemical properties

Boiling point: 192 · 192-193 °C(lit.)
Density: 1.203 g/mL · 1.203 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.451(lit.)
Flash point: 97 °C · 97°C
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: Miscible with water and with ethanol (96 per cent).
pka: 13.68 · 13.68±0.20(Predicted)
form: clear liquid
color: Colorless to Almost colorless
Cosmetics Ingredients Functions: ANTIMICROBIAL
InChI: InChI=1S/C4H8O3/c5-4-1-6-3-7-2-4/h4-5H,1-3H2
InChIKey: VCKSNYNNVSOWEE-UHFFFAOYSA-N
SMILES: O1CC(O)COC1
CAS DataBase Reference: 4740 · 4740-78-7(CAS DataBase Reference)
FDA UNII: 6 UP32GBII · F6UP32GBII
NIST Chemistry Reference: 1 · 1,3-Dioxan-5-ol(4740-78-7)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227
Precautionary statements: 210 · P210-P280-P403+P235-P501
Safety Statements: 23 · 23-24/25
WGK Germany: 3 · 3
F: 3 · 3
HS Code: 29329900 · 29329900

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 · 5 items

This chemical does not meet GHS hazard criteria for 52.7% (39 of 74) of all reports.

Warning

H319 (47.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

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

Aggregated GHS information provided per 74 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationGlycerol formal (dioxane isomer): Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesEye Irrit. 2 (47.3%)

Safety data

F: 3
wgk: 3
hs_code: 29329900
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 23-24/25
Hazard statements: H227
Precautionary statements: P210-P280-P403+P235-P501

Chemistry & industry

Applications

UsesGlycerol formal is used as a dye emulsifier and as a cosolvent for drug delivery.

Upstream & downstream products

Upstream raw materials

Downstream products

1,3-Dioxolane-4-methanol

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Related reactions

4 records

New reaction record

HRID 18825As reactantuspto-grants-2010_06

HRID 1678995As reactantuspto-grants-1978_03

HRID 2053616As reactantuspto-grants-2008_02

HRID 2322415As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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