Basic information
- CAS
2063-92-5- Standard SMILES
CC1(C)C(=O)CC1OCc1ccccc1- InChIKey
OQYCKJLAKYHLTP-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- 3-(Benzyloxy)-2,2-dimethylcyclobutan-1-one
- IUPAC
- 2,2-dimethyl-3-phenylmethoxycyclobutan-1-one
- English name
- 3-(Benzyloxy)-2,2-dimethylcyclobutan-1-one
- Molecular formula
- C13H16O2
- Molecular weight
- 204.26
Names & synonyms
3-(benzyloxy)-2,2-dimethylcyclobutan-1-one2063-92-5RefChem:494271969-561-5MFCD217556792,2-dimethyl-3-phenylmethoxycyclobutan-1-oneSCHEMBL19580682CAA06392AKOS015711154SB22602AS-53881CS-0051718
Show more names
OQYCKJLAKYHLTP-UHFFFAOYSA-NCyclobutanone, 2,2-dimethyl-3-(phenylmethoxy)-3-(benzyloxy)-2,2-dimethylcyclobutan-1-one - [B84611]
EN300-1271432,2-Dimethyl-3-(benzyloxy)cyclobutanone3-benzyloxy-2,2-dimethyl-cyclobutanone3-(Benzyloxy)-2,2-dimethylcyclobutanoneSY150785DB-164908P17238F519870
Database identifiers
- CAS
2063-92-5- PubChem CID
- 66366390
- EC Number
- 969-561-5
- Nikkaji
- J3.479.682C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 102 °C · 102 °C(Press: 1 Torr)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- Appearance
- light yellow liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- HS Code
- 2914500090 · 2914500090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2914500090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers7 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
天津合信成化工科技有限公司13752273685 · [email protected]
济宁横渠生物技术有限公司18118824509 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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