Azelaic acid
O=C(O)CCCCCCCC(=O)O CopyCopied
InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13) CopyCopied
BDJRBEYXGGNYIS-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
Acide azélaïque
acide nonanedioïque
Acido azelaico [Spanish]
Azalaic Acid
azelaic acid [Wiki] [ACD/IUPAC Name]
Azelaic acid [USAN:INN]
Azelainic acid
Azelainsäure
Nonandisäure
nonanedioic acid
Azelaicacidtech
1,7-dicarboxyheptane
1,7-Heptanedicarboxylic acid
1,9-NONANEDIOIC ACID
1101094 [Beilstein]
123-99-9 [RN]
17265-13-3 [RN]
17356-30-8 [RN]
19619-43-3 [RN]
204-669-1 [EINECS]
26776-28-3 [RN]
27825-99-6 [RN]
32733-99-6 [RN]
38900-29-7 [RN]
4-02-00-02055 (Beilstein Handbook Reference) [Beilstein]
52457-54-2 [RN]
9005-49-6 [RN]
A-9800
acide azelaique [French]
acidum azelaicum [Latin]
AHI
anchoic acid
AZ1
Azelaate
Azelaic acid (USAN)
Azelainsaeure
Azelex
Dicarboxylic acid C9; Nonanedioic acid; AZA
Emerox 1110
Emerox 1144
Finacea [Wiki]
Finevin
lepargylic acid
n-nonanedioic acid
Nonandisaeure
NONANEDIOC ACID
Nonanedioicacid
Nonanedionic acid
Skinorem
Skinoren
246379_ALDRICH [DBID]
458317_ALDRICH [DBID]
A96150_ALDRICH [DBID]
AGN-191861 [DBID]
AI3-06299 [DBID]
AIDS002603 [DBID]
AIDS-002603 [DBID]
BRN 1101094 [DBID]
C08261 [DBID]
D03034 [DBID]
DivK1c_000532 [DBID]
Emery 1110 [DBID]
Empol 1144 [DBID]
EU-0100051 [DBID]
KBio1_000532 [DBID]
KBio2_000437 [DBID]
KBio2_003005 [DBID]
KBio2_005573 [DBID]
KBio3_001256 [DBID]
KBioGR_000662 [DBID]
KBioSS_000437 [DBID]
LMFA01170054 [DBID]
Lopac-246379 [DBID]
LS-22779 [DBID]
MLS000069659 [DBID]
NCGC00014993-01 [DBID]
NINDS_000532 [DBID]
NSC 19493 [DBID]
NSC19493 [DBID]
SDCCGMLS-0066619.P001 [DBID]
SH-441 [DBID]
SMR000059164 [DBID]
SPBio_001089 [DBID]
Spectrum_000057 [DBID]
Spectrum2_000995 [DBID]
Spectrum3_000278 [DBID]
Spectrum4_000401 [DBID]
ZK 62498 [DBID]
ZK-62498 [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) = 1.70 Log Kow (Exper. database match) = 1.57 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 348.45 (Adapted Stein & Brown method) Melting Pt (deg C): 127.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.29E-005 (Modified Grain method) MP (exp database): 106.5 deg C BP (exp database): 286.5 @ 100 mm Hg deg C VP (exp database): 1.07E-08 mm Hg at 25 deg C Subcooled liquid VP: 6.85E-008 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5684 log Kow used: 1.57 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 2400 mg/L (20 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1333.6 mg/L Wat Sol (Exper. database match) = 2400.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.23E-011 atm-m3/mole Group Method: 2.28E-012 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.978E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.57 (exp database) Log Kaw used: -9.040 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.610 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8033 Biowin2 (Non-Linear Model) : 0.8351 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.5124 (days-weeks ) Biowin4 (Primary Survey Model) : 4.3473 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8604 Biowin6 (MITI Non-Linear Model): 0.9143 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.3916 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): 9.13E-006 Pa (6.85E-008 mm Hg) Log Koa (Koawin est ): 10.610 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.328 Octanol/air (Koa) model: 0.01 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.922 Mackay model : 0.963 Octanol/air (Koa) model: 0.444 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.8285 E-12 cm3/molecule-sec Half-Life = 1.088 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 13.059 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.943 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 134.8 Log Koc: 2.130 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 = 0.500 (BCF = 3.162) log Kow used: 1.57 (expkow database) Volatilization from Water: Henry LC: 2.28E-012 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.523E+008 hours (1.468E+007 days) Half-Life from Model Lake : 3.843E+009 hours (1.601E+008 days) Removal In Wastewater Treatment: Total removal: 2.00 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.90 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 7.4e-005 26.1 1000 Water 26.4 208 1000 Soil 73.5 416 1000 Sediment 0.0607 1.87e+003 0 Persistence Time: 422 hr
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