Oxazolidine-E
Basic information
- CAS
7747-35-5- Standard SMILES
CCC12COCN1COC2- InChIKey
ZRCMGIXRGFOXNT-UHFFFAOYSA-N- Molecular formula
- C7H13NO2
- Average molar mass
- 143.18 g/mol
- Monoisotopic mass
- 143.09462866
Names & identifiers
- Preferred name
- Oxazolidine-E
- IUPAC
- 7a-ethyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
- English name
- 5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane
- Molecular formula
- C7H13NO2
- Molecular weight
- 143.18
Names & synonyms
Oxazolidine E7-EthylbicyclooxazolidineOxaban E5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazoleOxazolidine-ETRUPTAN OX-EDTXSID30292897a-ethyldihydro-1h,3h,5h-oxazolo[3,4-c]oxazoleAMINE CS 1246CCRIS 90071H,3H,5H-Oxazolo(3,4-c)oxazole, 7a-ethyldihydro-
Show more names
oxazolidineeChemtan A 60ETHYLBICYCLOOXAZOLIDINE7a-ethyldihydro-1H,3H,5H-oxazoloDihydro-7a-ethyloxazolo[3,4-c]oxazole7a-ethyltetrahydro-1H-oxazolo[3,4-c]oxazole1-Aza-5-ethyl-3,7-dioxabicyclo[3.3.0]octane
OXABAN-EEINECS 231-810-41-Aza-5-ethyl-3,7-dioxabicyclo(3.3.0)octaneDTXCID309289EC 231-810-41H,3H,5H-Oxazolo(3,4-c)oxazone, 7a-ethyldihydro-1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-5-ethyl-1-aza-3,7-dioxabicyclo(3.3.0)octane
Database identifiers
- CAS
7747-35-5- PubChem CID
- 82190
- DTXSID
DTXSID3029289- ChEMBL
CHEMBL3183106- UNII
- 20E75SVO7A
- EC Number
- 231-810-4
- Nikkaji
- J326.543I
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 128
Experimental & physicochemical properties
CosmeticsPreservative
Physicochemical properties
- Melting point
- 95 · 95-98°C
- Boiling point
- 75 °C10 · 75 °C10 mm Hg(lit.)
- Density
- 1.083 g/mL · 1.083 g/mL at 25 °C(lit.)
- vapor pressure
- 60.6 Pa · 60.6Pa at 25℃
- refractive index
- 20 · n20/D 1.461(lit.)
- Flash point
- 175 °F · 175 °F
- storage temp.
- 2 · 2-30°C
- pka
- 5.23 · 5.23±0.40(Predicted)
- form
- liquid
- Appearance
- Colorless to light yellow Liquid
- BRN
- 105946 · 105946
- Cosmetics Ingredients Functions
- PRESERVATIVE
- InChI
- 1S/C7H13NO2/c1-2-7-3-9-5-8(7)6-10-4-7/h2-6H2,1H3
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 0.9% (6 of 675) of reports.
Danger
H315 (98.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 675 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory Information
Chemical: 1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-
REACH registered substance: 7a-ethyldihydro-1H,3H,5H-oxazolo[3,4-c]oxazole (EC: 231-810-4)
1H,3H,5H-Oxazolo3,4-coxazole, 7a-ethyldihydro-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Substituted Oxazolidines: Human health tier II assessment
Hazard Classes and Categories
Skin Irrit. 2 (98.7%)
Acute toxicity (inhalation) - category 4
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- NA 1993 / PGIII
- risk_code
- 21/22-36/37/38-43-52/53-41-38-20
- Signal word
- Danger
- Symbol(GHS)
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 3 consumer products that contain 7-Ethylbicyclooxazolidine in the following categories is provided:
Use ClassificationCosmetics -> Preservative
General Manufacturing Information1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-: ACTIVE
Applications
DescriptionBioban CS 1246 is a relatively old formaldehyde releaser, used in cutting oils. Bioban CS 1248 is a mixture of Bioban CS-1246 and Bioban P-1487.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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