Results for:
PubChem ID: 931

Naphthalene

Mass-Spectra

Compound Details

Synonymous names
Albocarbon
Dezodorator
naphtalene
naphtaline
naphthalen
naphthalene
Naphthalin
Naphthaline
naphthalinr
naphthalir
antimitr
mothballr
Mothballs
Naftalen
naftaleno
naftalina
Naphthene
UFWIBTONFRDIAS-UHFFFAOYSA-N
Naphthalene, analytical standard
Naphthyl Group
Camphor tar
moth flaker
Moth flakes
NPY
Tar camphor
1-naphthalenyl
2-naphthalenyl
Moth balls
Naphthalene, crude
Naphthalene, molten
White tar
AC1L1ACK
Naphthalene, pure
Mighty RD1
Naphthalene (molten)
NAPHTHALENE- D8
Naphthalene, crude or refined
Naphthalene, pharmaceutical secondary standard; traceable to USP
Naftalen [Polish]
Di(C5-C6)alkylnaphthalene
Naphthalene, 98%
Naphthalene, 99%
S652
UNII-0TNN3Q0D4D component UFWIBTONFRDIAS-UHFFFAOYSA-N
CHEMBL16293
Mighty 150
Naphtalene [ISO:French]
UN1334
UN2304
HSDB 184
N0004
N0885
Naphthalene [BSI:ISO]
S0672
ACMC-209r8h
BIDD:ER0665
Naphthalene, certified reference material, TraceCERT(R)
Naphthalene, suitable for scintillation, >=99%
Naphthalene, United States Pharmacopeia (USP) Reference Standard
NSC37565
2166IN72UN
C00829
CCRIS 1838
DSSTox_CID_913
HMS3039N15
LTBB002419
RCRA waste number U165
WLN: L66J
ZINC967522
AK113721
DTXSID8020913
LS-1917
OR034082
OR092342
OR099120
OR228145
OR253141
STL282720
UN 1334
UN 2304
ZB015456
CHEBI:16482
L001166
NCI-C52904
UNII-2166IN72UN
AB1003134
AJ-24528
AN-42549
ANW-39567
DSSTox_GSID_20913
KB-57607
NSC 37565
NSC-37565
BDBM50159249
Caswell No. 587
DSSTox_RID_75860
MFCD00001742
ZINC00967522
AI3-00278
RTR-003288
AKOS000119977
EPA Pesticide Chemical Code 055801
I14-6944
NAPHTHALENE [1-14C]
RCRA waste no. U165
FT-0651884
Melting point standard 79-81C, analytical standard
MLS001055498
SMR000677944
91-20-3
Naphthalene, for synthesis, 98.5%
Naphthalene solution, 100 ng/muL in cyclohexane, analytical standard
Tox21_111023
Tox21_202004
Tox21_300008
F0001-2217
Naphthalene solution, certified reference material, 200 mug/mL in methanol
Naphthalene, di-C5-6-alkyl derivs.
CAS-91-20-3
Naphthalene, SAJ first grade, >=98.0%
MCULE-8231589350
Naphthalene solution, certified reference material, 5000 mug/mL in methanol
NCGC00090793-01
NCGC00090793-02
NCGC00090793-03
NCGC00090793-04
NCGC00090793-05
NCGC00254058-01
NCGC00259553-01
EINECS 202-049-5
68412-25-9
72931-45-4
SR-01000854997
Naphthalene, 99.5% 500g
MolPort-001-738-535
Naphthalene-1,2,3,4-13C4
Naphthalene, molten [UN2304] [Flammable solid]
SR-01000854997-2
Naphthalene, crude or refined [UN1334] [Flammable solid]
Naphthalene, molten [UN2304] [Flammable solid]
Naphthalene, crude or refined [UN1334] [Flammable solid]
Bicyclo[4.4.0]deca-1,3,5,7,9-pentene
InChI=1/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8
Microorganism:

Yes

IUPAC namenaphthalene
SMILESC1=CC=C2C=CC=CC2=C1
InchiInChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
FormulaC10H8
PubChem ID931
Molweight128.174
LogP2.96
Atoms18
Bonds19
H-bond Acceptor0
H-bond Donor0
Chemical Classificationbenzenoids

mVOC Specific Details

Volatilization
The Henry's Law constant for naphthalene is 4.4X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that naphthalene is expected to volatilize from water surfaces(2). 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)(2) is estimated as 6 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)(2) is estimated as 5 days(SRC). In laboratory experiments conducted at room temperature, the volatilization half-life of naphthalene was shown to range from 0.17 hours (depth of water 7.2 cm) to 11.55 hours (depth of water 8.5 cm)(3). Naphthalene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The estimated volatilization half-life for naphthalene from soil is 1.1 days, and 14 days when incorporated at a depth of 1 cm and 10 cm, respectively(4).
Literature: (1) Shiu WY, Mackay D; J Chem Eng Data 42: 951-953 (1997) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Smith JH et al; Chemosphere 10: 281-289 (1981) (4) Jury WA et al; J Environ Qual 13: 573-579 (1984)
Soil Adsorption
The mean Koc value of naphthalene in 17 soils throughout the US was 871(1). The Koc of naphthalene in 5 different soils from Japan ranged from 440-830(2). In a long term field experiment in Uppsala, Sweden, soils were treated with 7 types of amendments and 1 untreated plot, Koc values were 112-680 for naphthalene(3). In a contaminated soil collected from a railway station in Spain, naphthalene had a log Koc of 3.97(4). The mean Koc value of naphthalene in sediment samples from 2 ponds and 1 river from north Georgia, US was 1,300(5). The log Koc value in sediment was 2.84(6). In 76 sediment samples from 7 sites in New York and 1 in North Carolina, naphthalene had log Koc values of 2.45-5.59(7). According to a classification scheme(8), these Koc values suggest that naphthalene is expected to have high to no mobility in soil(SRC).
Literature: (1) Karickoff SW; Chemosphere 10: 833-846 (1981) (2) Kishi H et al; Chemosphere 21: 975-89 (1990) (3) Novoszad M et al; Chemosphere 59: 639-47 (2005) (4) ter Laak TL et al; Environ Sci Technol 40:2184-90 (2006) (5) Karickoff SW et al; Wat Res 13: 241-248 (1979) (6) Beckles DM et al; Environ Toxicol Chem 26: 878-83 (2007) (7) Hawthorne SB et al; Environ Toxicol Chem 25: 2901-11 (2006) (8) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.085 mm Hg at 25 deg CAmbrose D et al; J Chem Soc Trans 71: 35-41 (1975)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
BacteriaPseudomonas Syringae S22naphyllosphere of field-grown potato plantsHunziker et al., 2015
FungiFusarium Graminearum 15AcDONn/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON 1001tan/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON ZFR 29n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_4n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_5n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_6n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_7n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_8n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_9n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1002tn/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 11791n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1509n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 8046n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL38369n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL6394n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 15n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 37n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 51n/aBusko et al., 2014
FungiFusarium Graminearum NIVn/aBusko et al., 2014
FungiFusarium Graminearum NIV 357n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 119n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 23n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 48n/aBusko et al., 2014
FungiFusarium Graminearum NIV_5n/aBusko et al., 2014
FungiFusarium Graminearum NIV_6n/aBusko et al., 2014
FungiFusarium Graminearum NIV_7n/aBusko et al., 2014
FungiFusarium Graminearum NIV_8n/aBusko et al., 2014
FungiMuscodor Vitigenusliana, Amazon, south PeruDaisy et al 2002
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber Aestivumn/an/a
FungiTuber Melanosporumn/an/a
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
FungiFusarium Graminearum 15AcDONyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON 1001tayeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON ZFR 29yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_4yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_9yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1002tyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 11791yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1509yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 8046yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL38369yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL6394yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 15yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 37yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 51yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIVyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV 357yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 119yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 23yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 48yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_8yeast extract sucrose agarSPME/GC-MS
FungiMuscodor Vitigenuspotato dextrose agarSPME, GCMSyes