Results for:
PubChem ID: 6943

2-propan-2-ylphenol

Mass-Spectra

Compound Details

Synonymous names	2-Isopropylphenol 88-69-7 O-ISOPROPYLPHENOL o-Hydroxycumene 2-(1-Methylethyl)phenol ISOPROPYLPHENOL o-Cumenol 1-Hydroxy-2-isopropylbenzene Phenol, o-isopropyl- 2-propan-2-ylphenol Phenol, 2-(1-methylethyl)- 2-(propan-2-yl)phenol Prodox 131 ISOPROPYLPHENOL, ORTHO 2-Isopropyl phenol 1-Hydroxy-3-isopropylbenzene 2-Isopropyl-Phenol Isopropylphenol, o- ortho-isopropylphenol FEMA No. 3461 2-Hydroxycumene NSC 5103 25168-06-3 CHEMBL30018 DTXSID2044391 CHEBI:38506 B2899Z0Q2U NSC-5103 MFCD00002224 Cumenol, o- cumenol o-isopropyl phenol EINECS 201-852-8 BRN 1363322 UNII-B2899Z0Q2U isopropyl phenol isopropyl-phenol AI3-18550 2-(1-Methylethyl)phenol; Propofol Imp. C (EP); Propofol Impurity C o-isopropyl-phenol 0-isopropyl phenol 2-iso-propylphenol Phenol, isopropyl- ortho-isopropyl phenol 2-Isopropylphenol, 98% UNII-7UD6MUG48S 2-(1-Methylethyl)-Phenol 7UD6MUG48S ISOPROPYLPHENOL, 2- SCHEMBL43297 4-06-00-03210 (Beilstein Handbook Reference) SCHEMBL8988162 DTXCID0024391 2-(1-Methylethyl)phenol, 9CI FEMA 3461 2-ISOPROPYLPHENOL [FHFI] NSC5103 3f36 2-Isopropylphenol, >=98%, FG EINECS 246-699-8 Tox21_302062 BDBM50409533 STL453618 AKOS000120752 MCULE-1601888573 CAS-88-69-7 NCGC00255940-01 BP-10159 PD055451 PROPOFOL IMPURITY C [EP IMPURITY] METACRESOL IMPURITY H [EP IMPURITY] I0173 NS00021381 EN300-20953 W-100389 Q27117882 F0001-2189 Z104485440 InChI=1/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H IP0
Microorganism:	No
IUPAC name	2-propan-2-ylphenol
SMILES	CC(C)C1=CC=CC=C1O
Inchi	InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3
Formula	C9H12O
PubChem ID	6943
Molweight	136.19
LogP	2.9
Atoms	10
Bonds	1
H-bond Acceptor	1
H-bond Donor	1
Chemical Classification	benzenoids aromatic compounds phenols alkylphenols
CHEBI-ID	38506
Supernatural-ID	SN0053323

mVOC Specific Details

Boiling Point	Degree Reference 212 median
MS-Links	MS-MS Spectrum 105213 MS-MS Spectrum 171670 MS-MS Spectrum 105214 MS-MS Spectrum 171669 MS-MS Spectrum 105215 MS-MS Spectrum 171671
1D-NMR-Links	1D NMR Spectrum 3375 - Varian 25.16 MHz 13C NMR 1D NMR Spectrum 2687 - JEOL 400 MHz 1H NMR
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP004038

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Tuber Melanosporum n/a Agricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain). Diaz et al. 2003
Method	Kingdom Species Growth Medium Applied Method Verification Eukaryota Tuber Melanosporum n/a n/a no