Results for:
PubChem ID: 8404

1,2,3,4-tetrahydronaphthalene

Mass-Spectra

Compound Details

Synonymous names
Tetrahydronaphthalene
Benzocyclohexane
tetrahydro-naphthalene
Bacticin
CXWXQJXEFPUFDZ-UHFFFAOYSA-N
tetralene
TETRALIN
Tetralina
Tetraline
Tetranap
Tetralin solvent
Tetralin® solvent
AC1L1QXB
Naphthalene, tetrahydro-
FT6XMI58YQ
ACMC-1C8AU
Tetralina [Polish]
UNII-FT6XMI58YQ
(C4-C5) Alkyltetrahydronaphthalenes
I899
KSC192O5P
C10H12
1,3,4-Tetrahydronaphthalene
CTK0J2757
HSDB 127
T0713
delta5,7,9-naphthantriene
LS-620
LS40429
NSC77451
bmse000530
C14114
CCRIS 3564
AK112767
CHEMBL1575635
DTXSID1026118
Naphthalene 1,3,4-tetrahydride
OR034155
OR251280
SBB060619
STL264224
CHEBI:35008
DSSTox_CID_6118
Y-9119
ZINC8437660
1,2,3,4-tetrahydronaphythalene
AJ-57566
AN-22806
Caswell No. 842A
DSSTox_GSID_26118
NSC 77451
NSC-77451
SC-79751
TRA0036329
TRA0039558
TRA0087429
1,2,3,4-Tetrahydronaphthalene
1,2,3,4-tetrahydronaphthalin
1,2,3,4-tetrahydronapthalene
5,6,7,8-tetrahydronaphthalene
DSSTox_RID_78023
MFCD00001733
ZINC08437660
AI3-01257
delta(sup5,7,9)-naphthantriene
KB-147836
NCIOpen2_000650
ST24026724
ST51046766
TC-172337
TR-003288
AKOS000121383
EPA Pesticide Chemical Code 055901
I14-6247
W-108503
1,2,3,4-Tetrahydronaphthalene, analytical standard
FT-0654145
Naphthalene 1,2,3,4-tetrahydride
Naphthalene-1,2,3,4-tetrahydride
WLN: L66 & TJ
1,2,3,4-tetrahydro-naphthalen
1,2,3,4-tetrahydro-naphthalene
I14-14246
delta(sup 5,7,9)-naphthantriene
Tox21_201793
Tox21_303325
119-64-2
F1908-0164
.delta.(sup 5,9)-Naphthantriene
MCULE-8327072794
naphthalene,1,2,3,4-tetrahydro-
NCGC00091744-01
NCGC00091744-02
NCGC00256948-01
NCGC00259342-01
CAS-119-64-2
EINECS 204-340-2
EINECS 270-178-4
1,2,3,4-tetrahydronaphthalene, Tetralin, THN
27216-28-0
68412-24-8
.delta.(5,7,9)-Naphthantriene
Naphthalene, 1,2,3,4-tetrahydro-
.delta.(sup 5,7,9)-Naphthantriene
MolPort-003-925-014
1,2,3,4-Tetrahydronaphthalene, anhydrous, 99%
1,2,3,4-Tetrahydronaphthalene, reagent grade, >=97%
1,2,3,4-Tetrahydronaphthalene, ReagentPlus(R), 99%
1,2,3,4-Tetrahydronaphthalene, 97% 250g
TETRALIN (SEE ALSO DECALIN (91-17-8))
1,2,3,4-Tetrahydronaphthalene, Vetec(TM) reagent grade, 98%
Naphthalene, 1,2,3,4-tetrahydro-, C1-4-alkyl derivs.
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
Molweight132.206
LogP3.43
Atoms22
Bonds23
H-bond Acceptor0
H-bond Donor0
Chemical Classificationbenzenoids

mVOC Specific Details

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.

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptococcus Mutans DSM 20523 as a biomarker for a breath test for detection of cariesHertel et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptococcus Mutans DSM 20523Brain-Heart-Infusion agarTenaxâ„¢-trap/GC-MS