Results for:
Species: Streptomycete sp.

2-phenylpropan-2-ol

Mass-Spectra

Compound Details

Synonymous names
Phenyldimethylcarbinol
Dimethylphenylcarbinol
Dimethylphenylmethanol
alpha-hydroxyisopropylbenzene
alpha,alpha-Dimethylbenzenemethanol
dimethylphenyl carbinol
Dimethylbenzyl alcohol
alpha-Hydroxycumene
BDCFWIDZNLCTMF-UHFFFAOYSA-N
alpha,alpha-dimethylbenzyl aldohol
alpha,alpha-Dimethylbenzyl alcohol
Dimethyl phenyl carbinol
2-PHENYLISOPROPANOL
2-Phenylisopropyl alcohol
alpha-Cumyl alcohol
1-Hydroxycumene
a,a-dimethylbenzyl alcohol
AC1L1YQL
Benzenemethanol, alpha,alpha-dimethyl-
ACMC-1B5PA
2-Hydroxy-2-phenylpropane
KSC489M5J
Benzenemethanol,.alpha.-dimethyl-
NSC1261
1-Methyl-1-phenylethanol
JE030BGE05
Benzenemethanol, a,a-dimethyl-
.alpha.,.alpha.-Dimethylbenzenemethanol
Z3076
P0213
CTK3I9654
Benzenemethanol, ?,?-dimethyl-
.alpha.-Cumyl alcohol
2-Phenyl-2-propanol
NE10320
SCHEMBL164244
STR08958
Benzyl alcohol, alpha,alpha-dimethyl-
LS11531
2-Phenylpropan-2-ol
HSDB 5718
UNII-JE030BGE05
CHEMBL3185495
AK170429
PS-4036
OR025531
NSC212537
Benzyl alcohol,.alpha.-dimethyl-
NSC-1261
DTXSID3027247
NSC 1261
(1-hydroxy-1-methylethyl)benzene
DSSTox_CID_7247
ZINC1591819
KB-86406
CJ-05598
LS-42910
TL8003951
AN-21973
ANW-33947
.alpha.,.alpha.-Dimethylbenzyl alcohol
SC-89604
CJ-25460
TRA0059269
DSSTox_GSID_27247
2-phenyl-propan-2-ol
MFCD00004456
CHEBI:131607
ZINC01591819
DSSTox_RID_78368
NSC 212537
RTX-011818
AI3-05532
p-(1-hydroxy-1-methylethyl)benzene
NSC-212537
ST51037661
AKOS009158102
W-105093
BRN 1905012
2-Propanol, 2-phenyl-
FT-0613314
I01-10409
ETHOXY, 1-METHYL-1-PHENYL-
Tox21_200449
Benzenemethanol, .alpha.,.alpha.-dimethyl-
617-94-7
2-Phenyl-2-propanol, 97%
NCGC00258003-01
NCGC00248623-01
MCULE-1685813708
EINECS 210-539-5
CAS-617-94-7
Benzyl alcohol, .alpha.,.alpha.-dimethyl-
MolPort-001-759-991
4-06-00-03219 (Beilstein Handbook Reference)
InChI=1/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H
Microorganism:

Yes

IUPAC name2-phenylpropan-2-ol
SMILESCC(C)(C1=CC=CC=C1)O
InchiInChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
FormulaC9H12O
PubChem ID12053
Molweight136.194
LogP1.9
Atoms22
Bonds22
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationBenzenoids Alcohols

mVOC Specific Details

Volatilization
The Henry's Law constant for 2-phenylisopropanol is estimated as 3.8X10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that 2-phenylisopropanol will be essentially nonvolatile from water surfaces(2,SRC). 2-Phenylisopropanol's vapor pressure, 0.047 mm Hg(3,SRC) indicates that volatilization from dry soil surfaces may occur. However, 2-phenylisopropanol's Henry's Law constant(1,SRC) indicates that volatilization from moist soil may not occur(SRC).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Lyman WJ; p 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE(eds), Boca Raton, FL: CRC Press (1985)
Solubility
INSOL IN WATER; SOL IN ETHANOL, ETHER, BENZENE
Literature: Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 75th ed. Boca Raton, Fl: CRC Press Inc., 1994-1995., p. 3-52
Soil Adsorption
Using a structure estimation method based on molecular connectivity indexes(1), the Koc for 2-phenylisopropanol can be estimated to be about 36(SRC). The Koc of 2-phenylisopropanol can also be estimated to be approximately 274(SRC), using an estimated log Kow of 1.95(2,SRC) and a regression-derived equation(3,SRC). According to a recommended classification scheme(4), these estimated Koc values suggest that 2-phenylisopropanol has very high to medium mobility in soil(SRC).
Literature: (1) Meylan WM et al; Environ Sci Technol 28: 459-65 (1992) (2) Meylan WM, Howard PH; J Pharm Sci 84: 83-92 (1995) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (4) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
Vapor pressure = 0.52 mm Hg at 37.8 deg CYaws CL; Handbook of Vapor Pressure Vol 3 - C8 to C28 Compounds. Houston, TX: Gulf Publishing Co pg 127 (1994)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaStreptomycete Sp.n/aSchulz and Dickschat, 2007
BacteriaLactobacillus Casei NCIB 8010n/aTracey and Britz, 1989
BacteriaLactobacillus Plantarum NCIB 6376n/aTracey and Britz, 1989
BacteriaLactococcus Lactis DSM 20202n/aTracey and Britz, 1989
BacteriaLeuconostoc Cremoris DSM 20346n/aTracey and Britz, 1989
BacteriaLeuconostoc Dextranicum DSM 20484n/aTracey and Britz, 1989
BacteriaLeuconostoc Mesenteroides DSM 20343n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos B66n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 19n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 30n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 36n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 37Dn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 7Bn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20252n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20255n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20257n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos Lc5xn/aTracey and Britz, 1989
BacteriaLeuconostoc Paramesenteroides DSM 20288n/aTracey and Britz, 1989
BacteriaPediococcus Damnosus DSM 20331n/aTracey and Britz, 1989
BacteriaStenotrophomonas MaltophiliaclinicPreti., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaStreptomycete Sp.n/an/a
BacteriaLactobacillus Casei NCIB 8010n/an/a
BacteriaLactobacillus Plantarum NCIB 6376n/an/a
BacteriaLactococcus Lactis DSM 20202n/an/a
BacteriaLeuconostoc Cremoris DSM 20346n/an/a
BacteriaLeuconostoc Dextranicum DSM 20484n/an/a
BacteriaLeuconostoc Mesenteroides DSM 20343n/an/a
BacteriaLeuconostoc Oenos B66n/an/a
BacteriaLeuconostoc Oenos 19n/an/a
BacteriaLeuconostoc Oenos 30n/an/a
BacteriaLeuconostoc Oenos 36n/an/a
BacteriaLeuconostoc Oenos 37Dn/an/a
BacteriaLeuconostoc Oenos 7Bn/an/a
BacteriaLeuconostoc Oenos DSM 20252n/an/a
BacteriaLeuconostoc Oenos DSM 20255n/an/a
BacteriaLeuconostoc Oenos DSM 20257n/an/a
BacteriaLeuconostoc Oenos Lc5xn/an/a
BacteriaLeuconostoc Paramesenteroides DSM 20288n/an/a
BacteriaPediococcus Damnosus DSM 20331n/an/a
BacteriaStenotrophomonas MaltophiliaBlood agar/chocolate blood agaHS-SPME/GC-MS no