Basic information
- CAS
1354550-84-7- Standard SMILES
C#CCC1(O)COC1- InChIKey
NUVJUOZKDXUTIN-UHFFFAOYSA-N- Molecular formula
- C6H8O2
- Average molar mass
- 112.13 g/mol
- Monoisotopic mass
- 112.05242949
Names & identifiers
- Preferred name
- 3-(Prop-2-ynyl)oxetan-3-ol
- IUPAC
- 3-prop-2-ynyloxetan-3-ol
- English name
- 3-(Prop-2-ynyl)oxetan-3-ol
- Molecular formula
- C6H8O2
- Molecular weight
- 112.13
Names & synonyms
3-(Prop-2-ynyl)oxetan-3-ol1354550-84-7RefChem:495953829-024-73-(prop-2-yn-1-yl)oxetan-3-ol3-prop-2-ynyloxetan-3-olMFCD20444450SCHEMBL31673335AKOS016015635SB40461AS-53474SY234098
Show more names
3-Oxetanol, 3-(2-propyn-1-yl)-
DB-128109CS-0051667P16550EN300-5167471F054484
Database identifiers
- CAS
1354550-84-7- PubChem CID
- 56777521
- EC Number
- 829-024-7
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 197.3 · 197.3±15.0 °C(Predicted)
- Density
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- form
- oil
- pka
- 12.73 · 12.73±0.20(Predicted)
- color
- Colourless
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P304+P340
- HS Code
- 2932990090 · 2932990090
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P304+P340
Chemistry & industry
Suppliers16 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
武汉卡米克科技有限公司18162538168 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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