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Heterocyclic building blocks

1,3-Dioxepane

Also known as Tetramethylene formal, 1,3-Dioxepan, 1,3-Dioxacycloheptane

CAS 505-65-7Formula C5H10O2Molar mass 102.13 g/molEC 208-015-6
GHS signal word: Danger. Pictograms: Flammable, Harmful or irritant
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1,3-Dioxepane chemical structure, C5H10O2, CAS 505-65-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
505-65-7
Formula
C5H10O2
Molar mass
102.13 g/mol
Physical form
Liquid
HS code
293299
Category
Heterocyclic building blocks
Illustrative photo, 200 litre blue HDPE drums of liquid in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is 1,3-Dioxepane?

Plain description, key identifiers and synonyms

1,3-Dioxepane is a chemical substance with the molecular formula C5H10O2 and a molar mass of 102.13 g/mol. Its CAS registry number is 505-65-7.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,3-dioxepane
CAS number
505-65-7 CAS number cross-checkedOther or deprecated CAS: 25037-55-2
EC number
208-015-6
Molecular formula
C5H10O2
UNII
06TKO0IFJN
InChIKey
CZLMRJZAHXYRIX-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O2/c1-2-4-7-5-6-3-1/h1-5H2
SMILES (canonical and isomeric)
C1CCOCOC1

Synonyms

  • Tetramethylene formal
  • 1,3-Dioxepan
  • 1,3-Dioxacycloheptane
  • 1,4-Butanediol formal
  • 1,3-Dioxepin, tetrahydro-
  • Formaldehyde, cyclic tetramethylene acetal
  • Tetramethyleneformal
  • [1,3]dioxepane

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Physical form
Liquidexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
102.13 g/molcalc.
Exact mass
102.0681 Dacalc.
LogP (octanol/water)
0.77calc.
Topological polar surface area
18.46 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
7calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCOCOC1

C1CCOCOC1

1 ring, 7 atoms. This chemical is the scaffold itself.

60 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS02: Flammable
Flammable
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H225Highly flammable liquid and vapour.
  • H319Causes serious eye irritation.
Precautionary statements (14)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P233Keep container tightly closed.
  • P240Ground and bond container and receiving equipment.
  • P241Use explosion-proof electrical, ventilating and lighting equipment.
  • P242Use non-sparking tools.
  • P243Take action to prevent static discharges.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P337 + P317If eye irritation persists: Get medical help.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

1,3-Dioxepane suppliers

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1,3-Dioxepane price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 1,3-Dioxepane is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for 1,3-Dioxepane is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 1,3-Dioxepane, based on the data on this page

What is 1,3-Dioxepane?

1,3-Dioxepane is a chemical substance with the molecular formula C5H10O2 and a molar mass of 102.13 g/mol. Its CAS registry number is 505-65-7.

What is the CAS number of 1,3-Dioxepane?

The CAS registry number of 1,3-Dioxepane is 505-65-7. Other or deprecated CAS numbers: 25037-55-2.

What is the molecular formula and weight of 1,3-Dioxepane?

The molecular formula of 1,3-Dioxepane is C5H10O2 and its molar mass is 102.13 g/mol.

What is 1,3-Dioxepane used for?

Known uses and roles of 1,3-Dioxepane include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 1,3-Dioxepane hazardous?

1,3-Dioxepane carries the GHS signal word "Danger". Main hazards: highly flammable liquid and vapour, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 1,3-Dioxepane?

1,3-Dioxepane is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 1,3-Dioxepane?

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What is the price of 1,3-Dioxepane?

Suppliers quote 1,3-Dioxepane on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle 1,3-Dioxepane

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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