Results for:
PubChem ID: 7044

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

Mass-Spectra

Compound Details

Synonymous names
DECAHYDRONAPHTHALENE
cis-Decahydronaphthalene
Decalin
trans-Decahydronaphthalene
91-17-8
493-01-6
CIS-DECALIN
493-02-7
TRANS-DECALIN
Perhydronaphthalene
Naphthalane
Dekalin
Naphthalene, decahydro-
Naphthan
Naphthane
Dekalina
De-kalin
Bicyclo[4.4.0]decane
t-decalin
cis-Perhydronaphthalene
trans-Perhydronaphthalene
Naphthalene, decahydro-, cis-
cis-Bicyclo[4.4.0]decane
trans-Bicyclo[4.4.0]decane
Bicyclo(4.4.0)decane
Decahydronaphthalene, trans-
(4ar,8ar)-decahydronaphthalene
c-decalin
Naphthalene, decahydro-, trans-
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Decahydronaphthalin
Dekahydronaphthalin
NSC 406139
c-decahydronaphthalene
(4as,8as)-decahydronaphthalene
MFCD00004130
cis-Bicyclo(4.4.0)decane
trans-Bicyclo(4.4.0)decane
DTXSID1024912
CHEBI:38853
88451Q4XYF
MFCD00064191
NSC-406139
Dekalina [Polish]
Naphthalene-1,2,3,4,5,6,7,8-d8, decahydro-d10-
CCRIS 3410
HSDB 287
EINECS 202-046-9
UN1147
BRN 0878165
trans decalin
UNII-88451Q4XYF
AI3-01256
decahydronaphtalene
Decalin(R)
Naphthalene, cis-
Decanhydronaphthalene
EINECS 207-770-9
EINECS 207-771-4
NSC 77452
NSC 77453
(E)-Decahydronaphthalene
(Z)-Decahydronaphthalene
Decahydronaphthalene, cis
DECALIN [MI]
EC 202-046-9
NAPHTHALENE DECAHYDRO
Decahydronaphthalene, (E)-
Decahydronaphthalene, (Z)-
WLN: L66TJ
3-05-00-00245 (Beilstein Handbook Reference)
MLS001055339
cis-Decahydronaphthalene, 99%
DTXCID304912
CHEMBL1491920
CHEBI:38860
CHEBI:38863
trans-Decahydronaphthalene, 99%
DTXSID00873337
DTXSID90883405
Decahydronaphthalene, cis + trans
DECAHYDRONAPHTHALENE [HSDB]
HMS3039O03
NSC77452
NSC77453
STR05788
Tox21_200222
DECAHYDRONAPHTHALENE [WHO-DD]
MFCD00064189
NSC-77452
NSC-77453
NSC406139
STL280340
AKOS009031622
AKOS016010284
AKOS025295369
AT32906
AT32907
UN 1147
CAS-91-17-8
NCGC00090716-01
NCGC00090716-02
NCGC00257776-01
BS-23504
BS-23873
SMR000673566
SY128056
DB-051621
DB-051622
DB-057244
D0007
D0008
D0009
D1738
NS00003533
NS00079855
NS00080102
Decahydronaphthalene (Mixture of Cis + Trans)
A843747
cis-Decahydronaphthalene, purum, >=98.0% (GC)
Q415454
Decahydronaphthalene [UN1147] [Flammable liquid]
W-109334
Q27118000
Q27118002
Z104474658
InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H
Naphthalene, decahydro-, trans-; trans-Decahydronaphthalene; t-decalin; trans-Bicyclo[4.4.0]decane; trans-Decalin; trans-Perhydronaphthalene
Microorganism:

Yes

IUPAC name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC1CCC2CCCCC2C1
InchiInChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2
FormulaC10H18
PubChem ID7044
Molweight138.25
LogP4.6
Atoms10
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkanes saturated hydrocarbons
CHEBI-ID38853
Supernatural-IDSN0250001

mVOC Specific Details

Boiling Point
DegreeReference
155.5 °C peer reviewed
Volatilization
The Henry's Law constant for decahydronaphthalene is estimated as 0.47 atm-cu m/mole(SRC) derived from its vapor pressure, 2.3 mm Hg(1), and water solubility, 0.889 mg/l(2). This Henry's Law constant indicates that decahydronaphthalene is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 3.5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 5 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 28 days if adsorption is considered(4). Decahydronaphthalene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of decahydronaphthalene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 2.3 mm Hg(1).
Literature: (1) Boublik T et al; Vapor Pressures of Pure Substances. NY, NY: Elsevier p. 607 (1984) (2) Yalkowsky SH, Dannenfelser RM; The AQUASOL dATAbASE of Aqueous Solubility. Ver 5. Tucson, AZ: Univ AZ, College of Pharmacy (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987)
Soil Adsorption
The Koc of decahydronaphthalene is estimated as 4,600(SRC), using a water solubility of 0.889 mg/l(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that decahydronaphthalene is expected to have slight mobility in soil.
Literature: (1) Yalkowsky SH, Dannenfelser RM; The AQUASOL dATAbASE of Aqueous Solubility. Ver 5. Tucson, AZ: Univ AZ, College of Pharmacy (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
2.3 mm Hg @ 25 deg CBoublik, T., Fried, V., and Hala, E., The Vapour Pressures of Pure Substances. Second Revised Edition. Amsterdam: Elsevier, 1984.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaPhoma Sp.n/aNAStrobel et al. 2011
ProkaryotaLactobacillus PlantarumZhang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaPhoma Sp.n/aSolid phase microextraction (SPME)no
ProkaryotaLactobacillus PlantarumHabanero pepperGC–IMSno