Basic information
- CAS
505-65-7- Standard SMILES
C1CCOCOC1- InChIKey
CZLMRJZAHXYRIX-UHFFFAOYSA-N- Molecular formula
- C5H10O2
- Average molar mass
- 102.13 g/mol
- Monoisotopic mass
- 102.06807956
Names & identifiers
- Preferred name
- 1,3-Dioxepane
- IUPAC
- 1,3-dioxepane
- English name
- Tetramethylene formal
- Molecular formula
- C5H10O2
- Molecular weight
- 102.13
Names & synonyms
1,3-Dioxepane505-65-7Tetramethylene formal1,3-Dioxepan1,3-Dioxacycloheptane1,4-Butanediol formal1,3-Dioxepin, tetrahydro-UNII-06TKO0IFJNFormaldehyde, cyclic tetramethylene acetal06TKO0IFJNEINECS 208-015-6NSC 62077
Show more names
ButandiolformalTetrahydro-1,3-dioxepin1,4-METHYLENEDIOXYBUTANE
NSC-62077DTXSID0029183EC 208-015-6RefChem:72786DTXCID709183208-015-6CZLMRJZAHXYRIX-UHFFFAOYSA-NInChI=1/C5H10O2/c1-2-4-7-5-6-3-1/h1-5H
Database identifiers
- CAS
505-65-7- PubChem CID
- 68162
- DTXSID
DTXSID0029183- UNII
- 06TKO0IFJN
- EC Number
- 208-015-6
- Nikkaji
- J182.258F
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 39.3
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Boiling point
- 119 °C · 119°C
- Density
- 1 g/cm3 · 1 g/cm3
- vapor pressure
- 20 hPa · 20hPa at 18.5℃
- refractive index
- 1.43 · 1.4300
- Flash point
- 11 °C · 11°C
- Water Solubility
- 263 g/L · 263g/L at 20℃
- LogP
- 0.6 at · 0.6 at 20℃
- Indirect Additives used in Food Contact Substances
- BUTANEDIOL FORMAL
- FDA 21 CFR
- 177.247 · 177.2470
- FDA UNII
- 6 TKO0IFJN · 06TKO0IFJN
- EPA Substance Registry System
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 2.8% (3 of 107) of reports.
Danger
H225 (97.2%): Highly Flammable liquid and vapor [Danger 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 107 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,3-Dioxepane
REACH registered substance: 1,3-dioxepane (EC: 208-015-6)
Hazard Classes and CategoriesFlam. Liq. 2 (97.2%)
Safety data
- tsca
- TSCA listed
- ridadr
- 1993
- risk_code
- 11
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02
- safety_code
- 16-36/37/39
- Hazard statements
- H225-H319
- REACH Registrations
- Inactive
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Dioxepane: ACTIVE
Suppliers14 total
杭州品高化工有限公司0571-87658025 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海辅欣医药科技有限公司021-50872116 13391048226 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
湖南华腾制药有限公司400-8592883 15367835770 · [email protected]
BOC Sciences[email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.
Related reactions
1 records
Compound notes
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