7-Hydroxy-4-methyl-2H-chromen-2-one
O=C/2Oc1cc(O)ccc1\C(=C\2)C CopyCopied
InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3 CopyCopied
HSHNITRMYYLLCV-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
227-790-1 [EINECS]
2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-
4-Methylumbelliferon
4-Methylumbelliferone
4-Methyl-umbelliferone
5980-33-6 [RN]
7-Hydroxy-4-methyl-2H-1-benzopyran-2-one
7-Hydroxy-4-methyl-2H-2-chromenone
7-Hydroxy-4-methyl-2H-chromen-2-on
7-hydroxy-4-methyl-2H-chromen-2-one
7-Hydroxy-4-méthyl-2H-chromén-2-one
7-Hydroxy-4-methyl-2-oxo-3-chromene
7-hydroxy-4-methylchromen-2-one
7-Hydroxy-4-methyl-chromen-2-one
7-Hydroxy-4-methylcoumarin
b-Methylumbelliferone
Coumarin, 7-hydroxy-4-methyl-
Himecromona [Spanish] [INN]
Hymecromone [Wiki] [INN] [JAN] [USAN] [JP15]
Hymecromonum [Latin]
hymecromonum [INN_la]
β-Methylumbelliferone
142217
201-986-7 [EINECS]
2H-1-Benzopyran, 7-hydroxy-4-methyl-2-oxo-
2H-1-Benzopyren-2-one, 7-hydroxy-4-methyl-
4-Methyl-7-hydroxycoumarin
4-Methylumbeliferone
4-Methylumbelliferone;Coumarin 4;Hymecromone;Cantabiline;Pilot 447;Hymechromone
4-MU
5-18-01-00439 (Beilstein Handbook Reference) [Beilstein]
7-Hydroxy-4-methyl coumarin
7-hydroxy-4-methyl-2H-1-benzopyren-2-one
7-Hydroxy-4-methyl-2H-chromen-2-one; 7-Hydroxy-4-methyl-2-oxo-2H-chromene; 4-Methylumbelliferone
7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran
7-Hydroxy-4-methyl-2-oxo-2H-chromene
7-hydroxy-4-methyl-2-oxo-3-chrom ene
7-HYDROXY-4-METHYLBENZPYRONE
7-Hydroxy-4-methyl-chromen-2-one; (7-Hydroxy-4-methyl coumarin)
7-hydroxy-4-methyl-coumarin
90-33-5 [RN]
Bilcolic
Bilicante
C489431
Cantabilin
Cantabiline
Cantabiline (TN)
Cholestil
Cholonerton
Coumarin 4
Crodimon
Cumarote-C
D006923
Eurogale
himecromona; hymecromone; hymecromonum
Hymecromon
Imecromone
Imecromone [DCIT]
M-5410
Medilla
MENDIAXON
Methylumbelliferone
METHYLUMBELLIFERONE, β
n / a
Resocyanine
TL8005812
ZZ1
69580_FLUKA [DBID]
AI3-08085 [DBID]
AIDS018190 [DBID]
AIDS-018190 [DBID]
BRN 0142217 [DBID]
C03081 [DBID]
CCRIS 5926 [DBID]
CHEBI:17224 [DBID]
CPD-182 [DBID]
D00170 [DBID]
LM 94 [DBID]
LM-94 [DBID]
M1381_SIGMA [DBID]
Maybridge1_002078 [DBID]
MFCD00006866 [DBID]
NCGC00016345-01 [DBID]
nchembio.2007.28-comp4 [DBID]
NCI60_042099 [DBID]
NSC 19026 [DBID]
NSC 9408 [DBID]
NSC19026 [DBID]
NSC9408 [DBID]
Pilot 447 [DBID]
Prestwick0_000901 [DBID]
Prestwick1_000901 [DBID]
SPBio_002941 [DBID]
ZINC00058121 [DBID]
ω 127 [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) = 1.58 Log Kow (Exper. database match) = 1.90 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 343.51 (Adapted Stein & Brown method) Melting Pt (deg C): 111.70 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.32E-007 (Modified Grain method) MP (exp database): 195.5 deg C Subcooled liquid VP: 5.17E-005 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): 5210 log Kow used: 1.90 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11240 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.13E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.702E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.90 (exp database) Log Kaw used: -7.335 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.235 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9537 Biowin2 (Non-Linear Model) : 0.9959 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0064 (weeks ) Biowin4 (Primary Survey Model) : 3.8622 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6272 Biowin6 (MITI Non-Linear Model): 0.6863 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6493 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00689 Pa (5.17E-005 mm Hg) Log Koa (Koawin est ): 9.235 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000435 Octanol/air (Koa) model: 0.000422 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0155 Mackay model : 0.0336 Octanol/air (Koa) model: 0.0326 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 63.0057 E-12 cm3/molecule-sec Half-Life = 0.170 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.037 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 13.650000 E-17 cm3/molecule-sec Half-Life = 0.084 Days (at 7E11 mol/cm3) Half-Life = 2.015 Hrs Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.0246 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 391.3 Log Koc: 2.592 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 = 0.763 (BCF = 5.794) log Kow used: 1.90 (expkow database) Volatilization from Water: Henry LC: 1.13E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.877E+005 hours (2.865E+004 days) Half-Life from Model Lake : 7.502E+006 hours (3.126E+005 days) Removal In Wastewater Treatment: Total removal: 2.16 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.07 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 0.0217 1.35 1000 Water 25.2 360 1000 Soil 74.7 720 1000 Sediment 0.0803 3.24e+003 0 Persistence Time: 637 hr
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