Basic information
- CAS
21315-20-8- Standard SMILES
CC(C)COc1ccccc1O- InChIKey
PBVUSKGIFXCUMR-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Names & identifiers
- Preferred name
- 2-Isobutoxyphenol
- IUPAC
- 2-(2-methylpropoxy)phenol
- English name
- 2-(2-Methylpropyloxy)phenol
- Molecular formula
- C10H14O2
- Molecular weight
- 166.22
Names & synonyms
2-isobutoxyphenol21315-20-8DTXSID70351117RefChem:262291DTXCID703021842-(2-methylpropoxy)phenolMFCD00474627ghl.PD_Mitscher_leg0.605o-isobutoxyphenolTimTec1_005338SCHEMBL77820SCHEMBL842535
Show more names
2-(2-Methylpropyloxy)phenolPhenol, 2-(2-methylpropoxy)-2-isobutoxyphenol(SALTDATA: FREE)
SCHEMBL27911608PBVUSKGIFXCUMR-UHFFFAOYSA-NHMS1549C14STK753188AKOS005615677BS-36809ST081757CS-0316343
Database identifiers
- CAS
21315-20-8- PubChem CID
- 691161
- DTXSID
DTXSID70351117- Nikkaji
- J364.662I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- Melting point
- 50 · 50-51 °C
- Boiling point
- 85 °C · 85 °C(Press: 1.5 Torr)
- Density
- 1.027 · 1.027±0.06 g/cm3(Predicted)
- pka
- 9 · 9+-.0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2909500090 · 2909500090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2909500090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
7 records
Compound notes
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