Basic information
- CAS
38401-41-1- Standard SMILES
CC(O)C1CCC1- InChIKey
PFGPCAYJUYSJJS-UHFFFAOYSA-N- Molecular formula
- C6H12O
- Average molar mass
- 100.16 g/mol
- Monoisotopic mass
- 100.088815
Names & identifiers
- Preferred name
- 1-Cyclobutylethan-1-ol
- IUPAC
- 1-cyclobutylethanol
- English name
- 1-Cyclobutylethanol
- Molecular formula
- C6H12O
- Molecular weight
- 100.16
Names & synonyms
7515-29-91-CYCLOBUTYLETHAN-1-OLDTXSID70959319RefChem:431598DTXCID301387202964-412-01-CyclobutylethanolMFCD000610391-cyclobutyl-ethanol1-Cyclobutylethanol #SCHEMBL126871SCHEMBL126872
Show more names
Cyclobutanemethanol, α-methyl-1-Hydroxyethylcyclobutanea-Methylcyclobutanemethanolα-Methylcyclobutanemethanol1-CYCLOBUTYLETHANOL ISO 9001：2015 REACH
SCHEMBL127174SCHEMBL128883SCHEMBL2312381SCHEMBL21830269HAC21406Cyclobutanemethanol, .alpha.-methyl-AKOS006273266CS-W006217
Database identifiers
- CAS
38401-41-1、7515-29-9- PubChem CID
- 142262
- DTXSID
DTXSID70959319- EC Number
- 964-412-0
- Nikkaji
- J1.048.566E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 57.2
Physicochemical properties
- Boiling point
- 144 °C · 144 °C(Press: 752 Torr)
- Density
- 0.9075 g/cm3 · 0.9075 g/cm3(Temp: 10 °C)
- storage temp.
- 2 · 2-8°C
- pka
- 15.33 · 15.33±0.20(Predicted)
- form
- solid
- Appearance
- Colorless to light yellow Liquid
- InChI
- 1S/C6H12O/c1-5(7)6-3-2-4-6/h5-7H,2-4H2,1H3
- InChIKey
- PFGPCAYJUYSJJS-UHFFFAOYSA-N
- SMILES
- CC(O)C1CCC1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2906190090 · 2906190090
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- hs_code
- 2906190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses1-Cyclobutylethanol is a compound useful in organic synthesis.
Suppliers44 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [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]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Related reactions
2 records
Compound notes
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