Basic information
- CAS
2887-61-8- Standard SMILES
CCCC(=O)c1ccccc1O- InChIKey
GUDQIKIAWOAOFP-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 2'-Hydroxybutyrophenone
- IUPAC
- 1-(2-hydroxyphenyl)butan-1-one
- English name
- 2'-Hydroxybutyrophenone
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
2'-HydroxybutyrophenoneFenjuntong1-(2-Hydroxyphenyl)-1-butanoneButyrophenone, 2'-hydroxy-2-ButyrylphenolUNII-D3R09N552Fo-hydroxybutyrophenone2-HydroxybutyrophenoneD3R09N552FEINECS 220-749-9AI3-117022-Hydroxy-5-nitrobutyrophenone
Show more names
2'-hydroxy ketone2'-Hydroxybutyrophen
DTXSID10183070RefChem:80370DTXCID20105561GUDQIKIAWOAOFP-UHFFFAOYSA-N2887-61-81-(2-hydroxyphenyl)butan-1-one1-Butanone, 1-(2-hydroxyphenyl)-MFCD00020041
Database identifiers
- CAS
2887-61-8- PubChem CID
- 76157
- DTXSID
DTXSID10183070- UNII
- D3R09N552F
- EC Number
- 220-749-9
- Nikkaji
- J306.809I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Melting point
- 10 °C · 10°C
- Boiling point
- 251.67 °C · 251.67°C (rough estimate)
- Density
- 1.0683 · 1.0683
- refractive index
- 1.5379 · 1.5379 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 8.07 · 8.07±0.30(Predicted)
- CAS DataBase Reference
- 2887 · 2887-61-8(CAS DataBase Reference)
- FDA UNII
- 3 R09N552F · D3R09N552F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- REACH Registrations
- Active
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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2'-hydroxybutyrophenone (EC: 220-749-9)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers65 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州荧光实验室设备有限公司0371-86628211 13698823211 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [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]
常州市华阳科技有限公司+8615250961469 · [email protected]
青岛海力诺化工有限公司198 6221 1367 18561921626 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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