2-Methyl-1,4-naphthoquinone
O=C\2c1c(cccc1)C(=O)/C(=C/2)C CopyCopied
InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3 CopyCopied
MJVAVZPDRWSRRC-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1,4-Dihydro-1,4-dioxo-2-methylnaphthalene
1,4-naphthalenedione, 2-methyl-
14451-99-1 [RN]
2-Methyl-1,4-naftochinon [Czech]
2-Methyl-1,4-naphthalendione
2-Methyl-1,4-naphthochinone
2-Methyl-1,4-naphthodione
2-methyl-1,4-naphthoquinone [ACD/IUPAC Name]
2-Méthyl-1,4-naphtoquinone
2-methylnaphthalene-1,4-dione
2-methylnaphthoquinone
b-Methyl-1,4-naphthoquinone
Kaynone
Menadione [Wiki] [USP]
Menaphthene
Menaphtone
Menaquinone O
Methyl-1,4-naphthalenedione
Methyl-1,4-naphthoquinone
Vitamin K3
"2-Methyl-1,4-naphthoquinone"
1,4-dhydro-1,4-dioxo-2-methylnaphthalene
1,4-Dihydro-2-methylnaphthalene-1,4-dione
1,4-Naphthoquinone, 2-methyl-
11032-49-8 [RN]
1908453
200-372-6 [EINECS]
2-Methyl-[1,4]naphthoquinone
2-methyl-1,4-dihydronaphthalene-1,4-dione
2-Methyl-1,4-naphthalenedione
2-Methyl-1,4-naphthochinon [German]
2-Methyl-1,4-naphthochinon
3-Methyl-1,4-naphthoquinone
57414-02-5 [RN]
58-27-5 [RN]
Aquakay
Aquinone
CAS-58-27-5
hemodal
Hykinone
Juva-K
Kaergona
Kanone
Kappaxan
Kappaxin
Karcon
Kareon
Kativ-G
Kayklot
Kaykot
kayquin one
Kayquinone
Kipca
Klotogen
Klottone
Koaxin
Kolklot
K-Thrombyl
K-Vitan
Memodol
Menadion
menadiona [Portuguese]
Menadione (K3)
Menadione [USAN:BAN] [USAN]
Menadione, Vitamin K3
Menadionum
Menaphthon
Menaphthone
Menaquinone [Wiki]
Methylnaphthoquinone
Mitenon
Mitenone
MNQ
Naphthoquinone, methyl-
Panosine
Prokayvit
Synkay
THYLOQUINONE
Vitamin K 3
Vitamin K0
Vitamin K2 (0)
Vitamin K2(0)
Vitamin- K3
Vitamin K3; 2-Methyl-1,4-naphthoquinone
CHEBI:28869 [DBID]
47775_SUPELCO [DBID]
AI3-14700 [DBID]
AIDS017890 [DBID]
AIDS-017890 [DBID]
Bio1_000471 [DBID]
Bio1_000960 [DBID]
Bio1_001449 [DBID]
C05377 [DBID]
CCRIS 6672 [DBID]
CPD-3766 [DBID]
D02335 [DBID]
DivK1c_000080 [DBID]
DivK1c_006287 [DBID]
HSDB 3354 [DBID]
KBio1_000080 [DBID]
KBio1_001231 [DBID]
KBio2_001708 [DBID]
KBio2_002527 [DBID]
KBio2_004276 [DBID]
KBio2_005095 [DBID]
KBio2_006844 [DBID]
KBio2_007663 [DBID]
KBio3_003005 [DBID]
KBioGR_000984 [DBID]
KBioGR_002527 [DBID]
KBioSS_001708 [DBID]
KBioSS_002535 [DBID]
M5625_SIGMA [DBID]
M9429_SIGMA [DBID]
MFCD00001681 [DBID]
MLS000069420 [DBID]
NCGC00016258-01 [DBID]
NCI60_003945 [DBID]
NCIMech_000105 [DBID]
NINDS_000080 [DBID]
NSC 4170 [DBID]
NSC4170 [DBID]
Prestwick_313 [DBID]
Prestwick0_000459 [DBID]
Prestwick1_000459 [DBID]
SMR000059102 [DBID]
SPBio_001267 [DBID]
SPBio_002477 [DBID]
SpecPlus_000191 [DBID]
Spectrum_001228 [DBID]
Spectrum2_001194 [DBID]
Spectrum4_000722 [DBID]
USAF EK-5185 [DBID]
ZINC00001677 [DBID]
Data supplied by datasources and users.
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.21 Log Kow (Exper. database match) = 2.20 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 314.21 (Adapted Stein & Brown method) Melting Pt (deg C): 95.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000144 (Modified Grain method) MP (exp database): 107 deg C Subcooled liquid VP: 0.000915 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 793.8 log Kow used: 2.20 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 160 mg/L (30 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 160 mg/L Wat Sol (Exper. database match) = 160.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Quinone/Hydroquinone Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.09E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.110E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.20 (exp database) Log Kaw used: -6.898 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.098 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6792 Biowin2 (Non-Linear Model) : 0.4152 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7737 (weeks ) Biowin4 (Primary Survey Model) : 3.5549 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4748 Biowin6 (MITI Non-Linear Model): 0.4379 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4825 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.122 Pa (0.000915 mm Hg) Log Koa (Koawin est ): 9.098 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.46E-005 Octanol/air (Koa) model: 0.000308 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000887 Mackay model : 0.00196 Octanol/air (Koa) model: 0.024 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 11.5305 E-12 cm3/molecule-sec Half-Life = 0.928 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 11.132 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec Half-Life = 1.007 Days (at 7E11 mol/cm3) Half-Life = 24.179 Hrs Fraction sorbed to airborne particulates (phi): 0.00143 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 26.54 Log Koc: 1.424 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.154 (BCF = 1.426) log Kow used: 2.20 (expkow database) Volatilization from Water: Henry LC: 3.09E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.486E+005 hours (1.036E+004 days) Half-Life from Model Lake : 2.712E+006 hours (1.13E+005 days) Removal In Wastewater Treatment: Total removal: 2.48 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.38 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0548 11.6 1000 Water 21.2 360 1000 Soil 78.6 720 1000 Sediment 0.0953 3.24e+003 0 Persistence Time: 706 hr
Click to predict properties on the Chemicalize site