- 0 of 3 defined stereocentres
2-Isopropyl-5-methylcyclohexyl acetate
O=C(OC1CC(CCC1C(C)C)C)C CopyCopied
InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3 CopyCopied
XHXUANMFYXWVNG-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
(±)-Menthol acetate
(±)-Menthyl acetate
(dl)-Menthyl acetate
201-911-8 [EINECS]
218-767-7 [EINECS]
219-856-3 [EINECS]
2230-87-7 [RN]
240-459-6 [EINECS]
249-409-8 [EINECS]
2552-91-2 [RN]
2-Isopropyl-5-methylcyclohexyl acetate [ACD/IUPAC Name]
5-methyl-2-(propan-2-yl)cyclohexyl acetate
cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate (8CI)
dl-5-Methyl-2-(1-methylethyl)cyclohexyl acetate
Menthol, acetate (8CI)
(-)-(1R)-Menthyl Acetate
(+)-(1S)-Menthyl Acetate
(1R)-(-)-Menthyl acetate
(1R)-(-)-Neomenthyl acetate
(1R,2R,5R)-2-Isopropyl-5-methylcyclohexyl acetate [ACD/IUPAC Name]
(1S)-(+)-MENTHYL ACETATE
(1S)-(+)-Neomenthyl acetate
146502-80-9 [RN]
16409-45-3 [RN]
220-076-0 [EINECS]
2623-23-6 [RN]
29066-34-0 [RN]
4-06-00-00153 (Beilstein Handbook Reference) [Beilstein]
5157-89-1 [RN]
52156-73-7 [RN]
5-Methyl-2-(1-methylethyl)cyclohexanol acetate
89-48-5 [RN]
Acetic acid, p-menth-3-yl ester
Acetic acid, p-menth-3-yl ester, dl-
Cyclohexan-1-ol, 2-isopropyl-5-methyl-, acetate, l-
Cyclohexanol, 5-methyl-2- (1-methylethyl)-, acetate, (1α, 2α,5β)-
Cyclohexanol, 5-methyl-2- (1-methylethyl)-, acetate, [1S-(1α,2α, 5β)]-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1R-(1α,2β,5α))- (9CI)
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1α,2α,5α)-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1α,2α,5β)-
CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, ACETATE, (1α,2β,5α)-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1α,2β,5α)-(±)-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1α,2β,5β)-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1θ-(1α,2β,5α))-
dl-MENTHYL ACETATE
L-MENTHYL ACETATE
Menthol, acetate
Menthol, acetate, iso-
Menthol, acetate, neo-
Menthol, acetate, trans-1,3,trans-1,4-
Menthyl acetate
Menthyl acetate racemic
Menthylacetate
Neomenthol acetate
neomenthyl acetate
p-Menthan-3-yl acetate
422770_ALDRICH [DBID]
AI3-36197 [DBID]
BRN 2208505 [DBID]
FEMA No. 2668 [DBID]
FEMA Number 2668 [DBID]
HSDB 824 [DBID]
LS-2351 [DBID]
MFCD00062975 [DBID]
NSC 3722 [DBID]
NSC 52970 [DBID]
NSC122112 [DBID]
NSC150569 [DBID]
NSC7350 [DBID]
W266809_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) = 4.39 Log Kow (Exper. database match) = 4.00 Exper. Ref: Griffin,S et al. (1999) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 234.50 (Adapted Stein & Brown method) Melting Pt (deg C): 0.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0913 (Mean VP of Antoine & Grain methods) MP (exp database): < 25 deg C BP (exp database): 227 deg C VP (exp database): 1.04E-01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 17.13 log Kow used: 4.00 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 53.781 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.90E-004 atm-m3/mole Group Method: 8.29E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.391E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.00 (exp database) Log Kaw used: -1.393 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.393 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8273 Biowin2 (Non-Linear Model) : 0.9862 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9011 (weeks ) Biowin4 (Primary Survey Model) : 3.7906 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5134 Biowin6 (MITI Non-Linear Model): 0.3884 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2821 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): 13.9 Pa (0.104 mm Hg) Log Koa (Koawin est ): 5.393 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.16E-007 Octanol/air (Koa) model: 6.07E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.81E-006 Mackay model : 1.73E-005 Octanol/air (Koa) model: 4.85E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 18.4105 E-12 cm3/molecule-sec Half-Life = 0.581 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.972 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.26E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 592 Log Koc: 2.772 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.014E-002 L/mol-sec Kb Half-Life at pH 8: 266.184 days Kb Half-Life at pH 7: 7.288 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.380 (BCF = 239.9) log Kow used: 4.00 (expkow database) Volatilization from Water: Henry LC: 0.000829 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.432 hours Half-Life from Model Lake : 144.6 hours (6.025 days) Removal In Wastewater Treatment: Total removal: 45.68 percent Total biodegradation: 0.26 percent Total sludge adsorption: 26.84 percent Total to Air: 18.58 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.9 13.9 1000 Water 16.4 360 1000 Soil 79.6 720 1000 Sediment 2.09 3.24e+003 0 Persistence Time: 419 hr
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