Basic information
- CAS
6921-35-3- Standard SMILES
CC1(C)COC1- InChIKey
RVGLUKRYMXEQAH-UHFFFAOYSA-N- Molecular formula
- C5H10O
- Average molar mass
- 86.13 g/mol
- Monoisotopic mass
- 86.07316494
Names & identifiers
- Preferred name
- 3,3-Dimethyloxetane
- IUPAC
- 3,3-dimethyloxetane
- English name
- 3,3-Dimethyloxetane
- Molecular formula
- C5H10O
- Molecular weight
- 86.13
Names & synonyms
3,3-Dimethyloxetane6921-35-3Oxetane, 3,3-dimethyl-3,3-dimethyl-oxetane3,3-Dimethyltrimethylene oxidePropane, 1,3-epoxy-2,2-dimethyl-1,3-Epoxy-2,2-dimethylpropaneMFCD00005168beta,beta-Dimethyltrimethylene oxideBRN 0102430Oxetane, 3,3-dimethyl- (9CI)SCHEMBL23528
Show more names
3,3-dimethyl-oxetanIbuprofen Impurity 853,3-Dimethyloxetane,94%1,3-epoxy-2,2-dimethyl-propan3,3-dimethyltrimethyleneoxide
SCHEMBL235293,3-Dimethyloxetane, 98%SCHEMBL2711442SCHEMBL3582870SCHEMBL3582871DTXSID30219244AKOS015907027MB00151
Database identifiers
- CAS
6921-35-3- PubChem CID
- 23352
- DTXSID
DTXSID30219244- EC Number
- 625-959-8
- Nikkaji
- J35.467H
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 51
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Ethers, Other
SpringerMaterials PropertiesElectric dipole moment
Physical DescriptionLiquid; [Alfa Aesar MSDS]
Physicochemical properties
- Boiling point
- 81 °C765 · 81 °C765 mm Hg(lit.)
- Density
- 0.835 g/mL · 0.835 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.399(lit.)
- Flash point
- 15 °F · 15 °F
- InChI
- 1S/C5H10O/c1-5(2)3-6-4-5/h3-4H2,1-2H3
- InChIKey
- RVGLUKRYMXEQAH-UHFFFAOYSA-N
- SMILES
- CC1(C)COC1
- EWG's Food Scores
- 1 · 1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302+H312+H332
- Precautionary statements
- 210 · P210-P233-P280-P301+P312-P303+P361+P353-P304+P340+P312
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,Xn
- Risk Statements
- 11 · 11-20/21/22
- Safety Statements
- 16 · 16-36/37/39-45
- RIDADR
- 1993 · UN 1993 3/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 3150000 · TZ3150000
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 2932990090 · 2932990090
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 2
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
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryCauses general anesthesia in intraperitoneal lethal-dose studies of mice (LDLo = 2,000 mg/kg); [RTECS] An irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- TZ3150000
- ridadr
- UN 1993 3/PG 2
- hs_code
- 2932990090
- risk_code
- 11-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xn
- safety_code
- 16-36/37/39-45
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H225-H302+H312+H332
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 2
- Precautionary statements
- P210-P233-P280-P301+P312-P303+P361+P353-P304+P340+P312
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers21 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
武汉匠信生物科技有限公司19272768272 18007157445 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Guangzhou CATO Research Chemicals Inc.+86-020-81960175-617 18520203721 · [email protected]
河南卓凡化工有限公司15638881523 · [email protected]
郑州灵之悦科技有限公司+86-0371-55074660 · [email protected]
Related reactions
1 records
Compound notes
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