Results for:
PubChem ID: 7409

1-phenylethanol

Mass-Spectra

Compound Details

Synonymous names
1-Phenylethanol
98-85-1
ALPHA-METHYLBENZYL ALCOHOL
1-Phenylethan-1-ol
Methylphenyl carbinol
Styralyl alcohol
Styrallyl alcohol
1-Phenethyl alcohol
13323-81-4
1-Phenylethyl alcohol
Methylphenylcarbinol
DL-1-Phenylethanol
Phenylmethylcarbinol
(1-Hydroxyethyl)benzene
sec-Phenethyl alcohol
Methyl phenyl carbinol
(+/-)-1-Phenylethanol
DL-1-Phenethylalcohol
alpha-Phenylethanol
1-Phenyl-1-hydroxyethane
alpha-Methylbenzenemethanol
Phenyl Ethanol
Ethanol, 1-phenyl-
alpha-Phenethyl alcohol
Methanol, methylphenyl-
alpha-Phenylethyl alcohol
Styrene alcohol
NCI-C55685
1-Fenylethanol
alpha-Methyl-benzmethanol
Fenyl-methylkarbinol
Benzenemethanol, .alpha.-methyl-
FEMA No. 2685
1-PHENYL-ETHANOL
1-phenyl ethanol
.alpha.-Methylbenzyl alcohol
NSC 25502
.alpha.-Methylbenzenemethanol
(1)-alpha-Methylbenzyl alcohol
.alpha.-Phenylethanol
Benzyl alcohol, .alpha.-methyl-
.alpha.-Phenethyl alcohol
alpha-Methyl-benzyl alcohol
.alpha.-Phenylethyl alcohol
CHEBI:669
DTXSID1020859
(+/-)-alpha-Methylbenzyl alcohol
E6O895DQ52
NSC-25502
1-Phenyl ethyl alcohol
Benzene-d5-methan-d-ol, a-(methyl-d3)-
1-PHENYLETHAN-2,2,2-D3-OL
DL-sec-Phenethyl alcohol
(R)-(+)-sec-Phenethyl Alcohol
FEMA Number 2685
1-Fenylethanol [Czech]
Fenyl-methylkarbinol [Czech]
Benzyl alcohol, alpha-methyl-
Benzenemethanol, alpha-methyl-
CCRIS 2367
methyl phenyl methanol
HSDB 4164
alpha-Hydroxyethylbenzene
EINECS 202-707-1
EINECS 236-361-8
UN2937
alpha-methyl-benzenemethanol
UNII-E6O895DQ52
AI3-02936
(R)-(+)-alpha-Methylbenzyl alcohol
(+/-)-1-Phenylethyl Alcohol
methylbenzylalcohol
methylbenzyl alcohol
Benzenemethanol, .alpha.-methyl-, (R)-
Benzenemethanol, .alpha.-methyl-, (S)-
a-Hydroxyethylbenzene
Methylphenyl-Methanol
MFCD00004508
1-hydroxyethylbenzene
1-phenyl-1-ethanol
1-phenylethane-1-ol
rac.-1-phenylethanol
?-Methylbenzenemethanol
Alcohol methyl benzylic
racemic 1-phenylethanol
(+) alpha-phenylethanol
1-Phenylethanol, 98%
1-(Phenylethyl) alcohol
1-Phenyl-1-ethylalcohol
DL-1-Phenylethyl Alcohol
.alpha.-Hydroxyethylbenzene
Alpha-methyl benzyl alcohol
EC 202-707-1
SCHEMBL2164
(s)-(+)-1-phenylethanol
a-Methylbenzenemethanol, 9CI
a-Methylbenzyl alcohol, 8CI
racemic 1-phenylethyl alcohol
DTXCID50859
CC(O)C1=CC=CC=C1
(+/-)-sec-Phenethyl Alcohol
(+/-)-a-Methylbenzyl alcohol
CHEMBL508917
WLN: QY1 & R
dl-.alpha.-Methylbenzyl alcohol
FEMA 2685
AMY3819
BCP24404
NSC25502
Tox21_200505
1-PHENYLETHANOL, (+/-)-
AKOS000121326
AKOS016038258
MCULE-1985443213
SB40856
UN 2937
ALPHA-METHYLBENZYL ALCOHOL [FCC]
CAS-98-85-1
ALPHA-METHYLBENZYL ALCOHOL [HSDB]
NCGC00248663-01
NCGC00258059-01
SY007833
.ALPHA.-METHYLBENZYL ALCOHOL [FHFI]
DB-043114
(+/-)-.ALPHA.-METHYLBENZYL ALCOHOL
M0163
NS00005192
EN300-21267
alpha-Methylbenzyl alcohol, >=99%, FCC, FG
C07112
alpha-Methylbenzyl alcohol [UN2937] [Poison]
(R)-(+)-1-Phenylethanol, 99%, ChiraSelect(TM)
Q3740715
W-100061
Z104494956
5-(1-HYDROXY-2,6,6-TRIMETHYL-4-OXOCYCLOHEX-2-ENYL)-3-METHYLPENTA-2,4-DIENOICACID
(?)-Methyl phenyl carbinol;(S)-(?)-alpha-Methylbenzyl alcohol;(S)-(-)-Sec-Phenylethyl alcohol
Microorganism:

Yes

IUPAC name1-phenylethanol
SMILESCC(C1=CC=CC=C1)O
InchiInChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
FormulaC8H10O
PubChem ID7409
Molweight122.16
LogP1.4
Atoms9
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationaromatic compounds aromatic alcohols alcohols benzenoids
CHEBI-ID669
Supernatural-IDSN0405126

mVOC Specific Details

Boiling Point
DegreeReference
204 °C peer reviewed
Volatilization
The Henry's Law constant for alpha-methylbenzyl alcohol is estimated as 2.9X10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that alpha-methylbenzyl alcohol will not volatilize from water surfaces(2,SRC). Volatilization from either dry or moist soil surfaces is not expected to be a major fate process based on estimated values for vapor pressure, 0.058 mm Hg(3,SRC) and Henry's Law constant(1,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)
Soil Adsorption
Koc values for alpha-methylbenzyl alcohol were determined for three subsoils: Apison (organic content = 0.11%) had a Koc of 37, Fullerton (organic content = 0.06%) had a Koc of <5, and Dormont (organic content = 1.2%) had a Koc of 52(1). According to a recommended classification scheme(2), these Koc values suggest that alpha-methylbenzyl alcohol has very high mobility in soil, although increasing organic content will act to reduce mobility slightly(SRC).
Literature: (1) Southworth GR, Keller JL; Water Air Soil Poll 28: 239-48 (1986) (2) Swann RL et al; Res Rev 85: 23 (1983)
MS-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANABean et al. 2012
ProkaryotaBurkholderia AmbifariaNAGroenhagen et al. 2013
ProkaryotaChondromyces Crocatusn/aNASchulz and Dickschat 2007
ProkaryotaChondromyces Crocatusn/aNASchulz et al. 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Aeruginosalysogeny brothSPME/GCxGC-MSno
ProkaryotaBurkholderia AmbifariaLuria-Bertani medium, Malt Extractyes
ProkaryotaChondromyces Crocatusn/an/ano