2-tert-Butylphenol

2-tert-Butylphenol

Names
IUPAC name 2-tert-Butylphenol
Other names o-tert-Butylphenol
Identifiers
CAS Number	88-18-6
3D model (JSmol)	Interactive image
ChEBI	CHEBI:34305
ChEMBL	ChEMBL108851
ChemSpider	6657
ECHA InfoCard	100.001.643
EC Number	201-807-2
PubChem CID	6923
RTECS number	SJ8921000
UNII	NL2FPV3N0Z
UN number	3145
CompTox Dashboard (EPA)	DTXSID2026525
InChI InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3 Key: WJQOZHYUIDYNHM-UHFFFAOYSA-N
SMILES CC(C)(C)C1=CC=CC=C1O
Properties
Chemical formula	C10H14O
Molar mass	150.221 g·mol−1
Appearance	colorless oil
Density	0.978 g/cm3
Melting point	−7 °C (19 °F; 266 K)
Hazards
GHS labelling: [1]
Pictograms
Signal word	Danger
Hazard statements	H302, H312, H314, H332, H411
Precautionary statements	P260, P261, P264, P270, P271, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P322, P330, P363, P391, P405, P501
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

2-tert-Butyl phenol is an organic compound with the formula (CH₃)₃CC₆H₄OH. It is one of three isomeric tert-butyl phenols. It is a colorless oil that dissolves in basic water. It can be prepared by acid-catalyzed alkylation of phenol with isobutene. ^[2]

Uses

2-tert-Butylphenol is an intermediate in the industrial production of 2,6-di-tert-butylphenol, a common antioxidant. ^[2]

Hydrogenation of 2-tert-butylphenol gives cis-2-tert-butylcyclohexanol, which when acetylated is a commercial fragrance. ^[2]

References

1. "2-Tert-butylphenol". pubchem.ncbi.nlm.nih.gov.
2. Fiege, Helmut; Voges, Heinz-Werner; Hamamoto, Toshikazu; Umemura, Sumio; Iwata, Tadao; Miki, Hisaya; Fujita, Yasuhiro; Buysch, Hans-Josef; Garbe, Dorothea; Paulus, Wilfried (2000). "Phenol Derivatives". Ullmann's Encyclopedia of Industrial Chemistry . Weinheim: Wiley-VCH. doi:10.1002/14356007.a19_313. ISBN   3527306730.