Basic information
- CAS
2754-18-9- Standard SMILES
OCC1(CO)COC1- InChIKey
QSGREIXRTDCBHO-UHFFFAOYSA-N- Molecular formula
- C5H10O3
- Average molar mass
- 118.13 g/mol
- Monoisotopic mass
- 118.06299418
Names & identifiers
- Preferred name
- 3,3-Bis(hydroxymethyl)oxetane
- IUPAC
- [3-(hydroxymethyl)oxetan-3-yl]methanol
- English name
- 3,3-bisz-(Hydroxymethyl)-oxetane
- Molecular formula
- C5H10O3
- Molecular weight
- 118.13
Names & synonyms
3,3-bis(hydroxymethyl)oxetaneRefChem:485625oxetane-3,3-diyldimethanol2754-18-93,3-Oxetanedimethanol[3-(hydroxymethyl)oxetan-3-yl]methanolMFCD004637083,3-bisz-(Hydroxymethyl)-oxetaneOxetane, 3,3-bis-(hydroxymethyl)3,3-bis(hydroxymethyl) oxetaneG52Q07446YF2147-0750
Show more names
3,3-Oxetanedimethanol - [X6219]3,3-Bis(hydroxymethyl)oxetane 98%
oxetane-3,3-dimethanol[3-(hydroxymethyl)-3-oxetanyl]methanolSCHEMBL521656(Oxetane-3,3-diyl)dimethanolSCHEMBL2588406CHEMBL4543495UNII-G52Q07446YQSGREIXRTDCBHO-UHFFFAOYSA-
Database identifiers
- CAS
2754-18-9- PubChem CID
- 529229
- DTXSID
DTXSID50336129- ChEMBL
CHEMBL4543495- UNII
- G52Q07446Y
- EC Number
- 803-433-0
- Nikkaji
- J801.485J
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 71.7
Physicochemical properties
- Melting point
- 84 ℃ · 84℃
- Boiling point
- 255 · 255-265℃ (3.5 Torr)
- Density
- 1.21 · 1.210±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 14.27 · 14.27±0.10(Predicted)
- color
- Colourless
- InChI
- InChI=1S/C5H10O3/c6-1-5(2-7)3-8-4-5/h6-7H,1-4H2
- InChIKey
- QSGREIXRTDCBHO-UHFFFAOYSA-N
- SMILES
- O1CC(CO)(CO)C1
- FDA UNII
- 52 Q07446Y · G52Q07446Y
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Danger
H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (97.5%)
Safety data
- wgk
- 3
- hs_code
- 2932990090
- risk_code
- 41
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H318
- Hazard Classifications
- Eye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers72 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Protheragen-ING+86-15618352007 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
Related reactions
3 records
Compound notes
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