Results for:
PubChem ID: 31234

3-phenylpropan-1-ol

Mass-Spectra

Compound Details

Synonymous names
3-PHENYL-1-PROPANOL
3-Phenylpropan-1-ol
122-97-4
Benzenepropanol
3-Phenylpropanol
Hydrocinnamyl alcohol
3-Phenylpropyl alcohol
Hydrocinnamic alcohol
3-Benzenepropanol
Phenylpropyl alcohol
1-Propanol, 3-phenyl-
3-Phenyl-n-propanol
(3-Hydroxypropyl)benzene
3-Phenylpropanol-1
Benzylethyl alcohol
gamma-Phenylpropanol
1-Hydroxy-3-phenylpropane
Dihydrocinnamal alcohol
.gamma.-Phenylpropanol
FEMA No. 2885
.gamma.-Phenylpropyl alcohol
NSC 16942
Phenylpropylic alcohol
dihydrocinnamyl alcohol
3-phenyl-propan-1-ol
3- Phenylprophyl alcohol
MFCD00002950
DTXSID6041638
CHEBI:88817
3-PHENYL-PROPAN-(1)-OL
U04IC2765C
NSC-16942
NCGC00165987-02
Propanol, phenyl-
93842-54-7
DTXCID4021638
CAS-122-97-4
CCRIS 3200
3-Phenyl-1-propanol (natural)
EINECS 204-587-6
Alverine Citrate Impurity B
BRN 1857542
phenyl-propanol
UNII-U04IC2765C
AI3-02067
3-phenyl propanol
phenylethyl carbinol
Alverine Citrate Imp. B (EP); Alverine Imp. B (EP); 3-Phenylpropan-1-ol; Alverine Citrate Impurity B; Alverine Impurity B
Benzenepropanol, 9CI
3-phenyl-1 -propanol
SCHEMBL1922
4-06-00-03198 (Beilstein Handbook Reference)
3-Phenyl-1-propanol, 98%
laquo gammaRaquo -phenylpropanol
CHEMBL1606391
FEMA 2885
HSDB 8266
NSC16942
3-PHENYL-1-PROPANOL [FCC]
Tox21_113458
Tox21_301674
3-PHENYL-1-PROPANOL [FHFI]
AC1807
laquo gammaRaquo -phenylpropyl alcohol
AKOS005217370
Tox21_113458_1
DS-6455
MCULE-7537660546
SB67303
3-Phenyl-1-propanol, >=98%, FCC
NCGC00165987-01
NCGC00165987-03
NCGC00255550-01
1335-12-2
AC-14708
HY-41304
SY003672
CS-0015960
NS00013112
P0214
EN300-20065
A805001
ALVERINE CITRATE IMPURITY B [EP IMPURITY]
Q-100104
Q27160792
Z104476660
InChI=1/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H
Microorganism:

No

IUPAC name3-phenylpropan-1-ol
SMILESC1=CC=C(C=C1)CCCO
InchiInChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
FormulaC9H12O
PubChem ID31234
Molweight136.19
LogP1.9
Atoms10
Bonds3
H-bond Acceptor1
H-bond Donor1
Chemical Classificationaromatic compounds aromatic alcohols alcohols benzenoids
CHEBI-ID88817
Supernatural-IDSN0385005

mVOC Specific Details

Boiling Point
DegreeReference
241 deg CHaynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-36
Volatilization
The Henry's Law constant for 3-phenylpropanol has been measured as <5.6X10-8 atm-cu m/mole(1). This Henry's Law constant indicates that 3-phenylpropanol is expected to be essentially nonvolatile from water surfaces(2). 3-Phenylpropanol's Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). Even though the extrapolated vapor pressure is low environmentally at standard temperature and pressure, 0.0234 mm Hg at 25 deg C(4), there is a detectable odor; therefore, 3-phenylpropanol may volatilize from dry soil(SRC).
Literature: (1) Altschuh J et al; Chemosphere 39: 1871-1987 (1999) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Fahlbusch KG et al; Flavors and Fragrances. Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (1999-2015). New York, NY: John Wiley & Sons. Online Posting Date: Jan 15, 2003. (4) Chao J et al; J Phys Chem Ref Data 12: 1033-1063 (1983)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 3-phenylpropanol can be estimated to be 71(SRC). According to a classification scheme(2), this estimated Koc value suggests that 3-phenylpropanol is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of June 29, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.0234 mm Hg at 25 deg C (extrapolated from higher temperatures)Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
MS-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaStropharia Rugosoannulatan/aNAMueller et al. 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno