Results for:
PubChem ID: 8404

1,2,3,4-tetrahydronaphthalene

Mass-Spectra

Compound Details

Synonymous names
1,2,3,4-Tetrahydronaphthalene
TETRALIN
119-64-2
Benzocyclohexane
Tetrahydronaphthalene
Bacticin
Tetraline
Tetranap
Naphthalene, 1,2,3,4-tetrahydro-
Tetralina
Naphthalene 1,2,3,4-tetrahydride
tetralene
NSC 77451
FT6XMI58YQ
DTXSID1026118
Naphthalene, tetrahydro-
CHEBI:35008
1,2,3,4-tetrahydro-naphthalene
MFCD00001733
NSC-77451
68412-24-8
Tetralina [Polish]
DTXCID306118
Caswell No. 842A
CAS-119-64-2
CCRIS 3564
HSDB 127
delta(sup 5,7,9)-naphthantriene
EINECS 204-340-2
UNII-FT6XMI58YQ
1,2,3,4-Tetrahydronaphthalene, reagent grade, >=97%
EPA Pesticide Chemical Code 055901
AI3-01257
Tetralin solvent
EINECS 270-178-4
TETRALIN [HSDB]
TETRALIN [MI]
bmse000530
TETRALIN [USP-RS]
TETRALIN [WHO-DD]
EC 204-340-2
NCIOpen2_000650
1,3,4-Tetrahydronaphthalene
1,2,3,4-tetrahydronapthalene
5,6,7,8-tetrahydronaphthalene
CHEMBL1575635
Naphthalene 1,3,4-tetrahydride
WLN: L66 & TJ
.delta.(5,7,9)-Naphthantriene
.delta.(sup 5,9)-Naphthantriene
Naphthalene-1,2,3,4-tetrahydride
NSC77451
Tox21_201793
Tox21_303325
STL264224
.delta.(sup 5,7,9)-Naphthantriene
AKOS000121383
NCGC00091744-01
NCGC00091744-02
NCGC00256948-01
NCGC00259342-01
DB-300892
NS00008482
T0107
T0713
EN300-21134
1,2,3,4-Tetrahydronaphthalene, anhydrous, 99%
Q420416
1,2,3,4-Tetrahydronaphthalene, analytical standard
W-108503
1,2,3,4-Tetrahydronaphthalene, ReagentPlus(R), 99%
F1908-0164
1,2,3,4-Tetrahydronaphthalene, Vetec(TM) reagent grade, 98%
InChI=1/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H
Microorganism:

Yes

IUPAC name1,2,3,4-tetrahydronaphthalene
SMILESC1CCC2=CC=CC=C2C1
InchiInChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2
FormulaC10H12
PubChem ID8404
Molweight132.2
LogP3.5
Atoms10
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkenes benzenoids
CHEBI-ID35008
Supernatural-IDSN0058581

mVOC Specific Details

Boiling Point
DegreeReference
207.6 °C peer reviewed
Volatilization
The Henry's Law constant for tetralin can be estimated to be approximately 1.7X10-3 atm-cu m/mole at 25 deg C using a chemical structure estimation method(2). According to a suggested classification scheme(1), volatilization from water will be significant. Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep flowing 1 m/sec with a wind velocity of 3 m/sec) can be estimated to be about 4 hours(1,SRC). The volatilization half-life from a model lake (1 meter deep) can be estimated to be about 5 days(1,SRC). Tetralin exhibited a half-life attributed to volatilization of 8.5 days in a mesocosm containing 13 cu-m Narragansett seawater poisoned with HgCl2 to retard biological activity(3).
Literature: (1) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 4-9, 5-4, 5-10, 7-4, 7-5, 15-15 to 15-32 (1990) (2) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (3) Wakeham SG et al; Environ Sci Technol 17: 611-7 (1983)
Soil Adsorption
A Koc for tetralin of about 1,800 can be estimated using a structure activity relationship(1). Based on a suggested classification scheme(2), this Koc value suggests that tetralin has low mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.368 mm Hg at 25 deg C, from experimentally derived coefficientsDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptococcus Mutans as a biomarker for a breath test for detection of cariesNAHertel et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptococcus MutansBrain-Heart-Infusion agarTenax-trap/GC-MSno