Basic information
- CAS
2622-83-5- Standard SMILES
CCC(C)c1ccc(O)c(C(C)c2ccccc2)c1- InChIKey
QJNBIFRUSFIANU-UHFFFAOYSA-N- Molecular formula
- C18H22O
- Average molar mass
- 254.4 g/mol
- Monoisotopic mass
- 254.16706532
Names & identifiers
- Preferred name
- 4-Sec-butyl-2-(1-phenylethyl)phenol
- IUPAC
- 4-butan-2-yl-2-(1-phenylethyl)phenol
- English name
- 4-sec-Butyl-2-(α-methylbenzyl) phenol
- Molecular formula
- C18H22O
- Molecular weight
- 254.37
Names & synonyms
2622-83-54-Sec-butyl-2-(1-phenylethyl)phenol4-(1-Methylpropyl)-2-(1-phenylethyl)phenol4-butan-2-yl-2-(1-phenylethyl)phenolPhenol, 4-(1-methylpropyl)-2-(1-phenylethyl)-4-(sec-Butyl)-2-(1-phenylethyl)phenolMFCD000383214-sec-Butyl-2-(alpha-methylbenzyl)phenol4-(Butan-2-yl)-2-(1-phenylethyl)phenolPhenol, 4-sec-butyl-2-(.alpha.-methylbenzyl)-4-sec-Butyl-2-(.alpha.-methylbenzyl)phenol4-sec-Butyl-2-(.alpha.-methylbenzyl)alcohol
Show more names
BAMBPTIMTEC-BB SBB0079664-sec-Butyl-2-（α-methylbenzyl）phenol4-sec-Butyl-2-(α-methylbenzyl) phenol4-sec-Butyl-2-(α-methylbenzyl) phenol4-SEC-BUTYL-2-(A-METHYLBENZYL) PHENOL 95%4-sec-Butyl-2-(alpha-methylbenzyl)alcohol
4-(methylpropyl)-2-(phenylethyl)phenolNSC97296EINECS 220-075-5SCHEMBL7890335DTXSID50949091CAA62283NSC 97296NSC-97296
Database identifiers
- CAS
2622-83-5- PubChem CID
- 98293
- DTXSID
DTXSID50949091- EC Number
- 220-075-5
- Nikkaji
- J192.131B
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 256
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 358.3 · 358.3±11.0 °C(Predicted)
- Density
- 1.004 g/cm3 · 1.004 g/cm3(Temp: 26 °C)
- pka
- 10.18 · 10.18±0.50(Predicted)
Chemistry & industry
Suppliers10 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
佛山市贝司化工有限公司18676837029 19584229548 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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