- 0 of 1 defined stereocentres
Hydratropaldehyde
CC(C=O)c1ccccc1 CopyCopied
InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3 CopyCopied
IQVAERDLDAZARL-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
(rac)-2-phenylpropionaldehyde
215-620-9 [EINECS]
2-phenylpropanal
93-53-8 [RN]
Benzeneacetaldehyde, α-methyl-
dl-2-Phenylpropionaldehyde
Hydratropaldehyd [German]
hydratropaldehyde [ACD/IUPAC Name]
Hydratropaldéhyde [French]
hydratropic aldehyde
Propanal, phenyl-
VHY1&R [WLN]
α-Formylethylbenzene
α-Methylphenylacetaldehyde
α-Phenylpropionaldehyde
¦Á-Phenylpropionaldehyde; Hydratropaldehyde
1335-10-0 [RN]
202-255-5 [EINECS]
2-Fenyl-1-propanal [Czech]
2-Phenyl Propionaldehyde
2-Phenyl-1-propanal
2-PHENYL-PROPANAL
2-Phenylpropanaldehyde
2-Phenylpropionaldehyde
34713-70-7 [RN]
4-06-00-03183 (Beilstein Handbook Reference) [Beilstein]
4291321
Aldehyd hydratropovy [Czech]
Benzeneacetalaldehyde, α-methyl-
Benzenemethanol, α-ethyl- (9CI)
Cumene aldehyde
Cumene aldehyde (VAN)
Hyacinthal
Hydratropa aldehyde
Hydrotropic aldehyde
Phenylaethylcarbinol [German]
Phenylchol
Phenylcholon
Phenylpropionaldehyde
Propionaldehyde, 2-phenyl-
propionaldehyde, phenyl-
α-Methyl phenylacetaldehyde
α-Methylbenzeneacetaldehyde
α-Methylbenzenealdehydealpha-
α-Methyltolualdehyde
α-Methyl-α-toluic aldehyde
α-Phenyl propionaldehyde
α-Phenylpropanal
α-Tolualdehyde, α-methyl-
241369_ALDRICH [DBID]
53790_FLUKA [DBID]
AI3-02934 [DBID]
AI3-19819 [DBID]
AIDS017541 [DBID]
AIDS-017541 [DBID]
BRN 1906759 [DBID]
D01470 [DBID]
FEMA No. 2886 [DBID]
ghl.PDMitscherleg0.415 [DBID]
MFCD00006973 [DBID]
NSC 25504 [DBID]
NSC 5231 [DBID]
NSC25504 [DBID]
NSC41708 [DBID]
NSC5231 [DBID]
W288608_ALDRICH [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) = 1.96 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 209.32 (Adapted Stein & Brown method) Melting Pt (deg C): -10.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.303 (Mean VP of Antoine & Grain methods) BP (exp database): 203.5 deg C VP (exp database): 2.70E-01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1877 log Kow used: 1.96 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2594.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aldehydes Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.27E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.850E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.96 (KowWin est) Log Kaw used: -3.527 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.487 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1511 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8721 (weeks ) Biowin4 (Primary Survey Model) : 3.7871 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7561 Biowin6 (MITI Non-Linear Model): 0.9071 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5387 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): 36 Pa (0.27 mm Hg) Log Koa (Koawin est ): 5.487 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.33E-008 Octanol/air (Koa) model: 7.53E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.01E-006 Mackay model : 6.67E-006 Octanol/air (Koa) model: 6.03E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.3713 E-12 cm3/molecule-sec Half-Life = 0.391 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.689 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.84E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 99.63 Log Koc: 1.998 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 = 0.809 (BCF = 6.439) log Kow used: 1.96 (estimated) Volatilization from Water: Henry LC: 7.27E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 94.47 hours (3.936 days) Half-Life from Model Lake : 1128 hours (46.99 days) Removal In Wastewater Treatment: Total removal: 2.61 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.11 percent Total to Air: 0.41 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.05 9.38 1000 Water 32.2 360 1000 Soil 66.6 720 1000 Sediment 0.109 3.24e+003 0 Persistence Time: 406 hr
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