Results for:
PubChem ID: 7915

Propan-2-yl Acetate

Mass-Spectra

Compound Details

Synonymous names
Isopropylacetaat
Isopropylacetat
Isopropylester kyseliny octove
methylethyl ethanoate
Acetate d'isopropyle
Isopropyl ethanoate
ISOPROPYL ACETATE
JMMWKPVZQRWMSS-UHFFFAOYSA-N
Paracetat
Isopropyl Acetate Reagent Grade
2-Acetoxypropane
acetic acid isopropyl
Isopropyl acetate, analytical standard
Acetic Acid Isopropyl Ester
iso-propyl acetate
sec-Propyl acetate
1-Methylethyl acetate
AC1L1PUF
AC1Q1QLE
i-propyl acetate
Isopropylacetaat [Dutch]
Isopropylacetat [German]
2-propyl ethanoate
Isopropile(acetato di)
Isopropyl ester of acetic acid
Isopropyl(acetate d')
2-Propyl acetate
Acetate d'isopropyle [French]
Acetic acid isopropyl ester
Acetic Acid, isopropyl ester
Isopropylester kyseliny octove [Czech]
Isopropyl Acetate (Fragrance Grade)
KSC174O0H
propan-2-yl ethanoate
Isopropile (acetato di)
Isopropyl (acetate d')
Isopropyle (acetate d')
NSC9295
propan-2-yl acetate
SCHEMBL19193
UN1220
A0036
CTK0H4703
HSDB 159
Isopropyl acetate, 98%
Isopropyl acetate, 99%
X5955
Acetic acid, 1-methylethyl ester
LS-455
RP18770
WLN: 1YOV1
1Y67AFK870
CCRIS 6053
CH3COOCH(CH3)2
Isopropyl acetate, United States Pharmacopeia (USP) Reference Standard
LTBB002234
ZINC388088
acetic acid propan-2-yl ester
CHEMBL1608674
DTXSID2025478
NSC 9295
NSC-9295
OR034314
OR199648
UN 1220
ZB011278
A801824
Acetic acid, 2-propyl ester
ACMC-2098z9
DSSTox_CID_5478
UNII-1Y67AFK870
AN-22503
ANW-15907
CJ-03108
DSSTox_GSID_25478
Isopropyl acetate, >=99.6%
Isopropyl acetate, >=99%, FCC
KB-52817
SC-25616
ACN-S002419
DSSTox_RID_77801
MFCD00008877
ZINC00388088
Isopropile (acetato di) [Italian]
RTR-001918
TR-001918
AKOS008949447
I04-0213
Isopropyl (acetate d') [French]
Isopropyle (acetate d') [French]
J-002073
Z53832993
BRN 1740761
FEMA No. 2926
Tox21_201443
Tox21_303287
108-21-4
Isopropyl acetate, 99% 250ml
MCULE-6152257819
NCGC00091731-01
NCGC00091731-02
NCGC00257073-01
NCGC00258994-01
CAS-108-21-4
EINECS 203-561-1
Isopropyl acetate [UN1220] [Flammable liquid]
5056-EP2269986A1
5056-EP2269999A1
5056-EP2270003A1
5056-EP2270009A1
5056-EP2272537A2
5056-EP2272822A1
5056-EP2275401A1
5056-EP2275403A1
5056-EP2277565A2
5056-EP2277566A2
5056-EP2277567A1
5056-EP2277568A2
5056-EP2277569A2
5056-EP2277570A2
5056-EP2277875A2
5056-EP2277878A1
5056-EP2277879A1
5056-EP2280014A2
5056-EP2281821A1
5056-EP2283811A1
5056-EP2287152A2
5056-EP2287154A1
5056-EP2287168A2
5056-EP2289509A2
5056-EP2289879A1
5056-EP2292280A1
5056-EP2292607A2
5056-EP2292609A1
5056-EP2292612A2
5056-EP2295409A1
5056-EP2295423A1
5056-EP2295437A1
5056-EP2298734A2
5056-EP2298751A2
5056-EP2298753A1
5056-EP2298766A1
5056-EP2298775A1
5056-EP2305666A1
5056-EP2305667A2
5056-EP2305670A1
5056-EP2305695A2
5056-EP2305696A2
5056-EP2305697A2
5056-EP2305698A2
5056-EP2305825A1
5056-EP2308471A1
5056-EP2308857A1
5056-EP2308873A1
5056-EP2311811A1
5056-EP2311831A1
5056-EP2314577A1
5056-EP2371808A1
5056-EP2380568A1
MolPort-000-860-849
Isopropyl acetate [UN1220] [Flammable liquid]
Isopropyl acetate, anhydrous, ZerO2(TM), >=99.6%
4-02-00-00141 (Beilstein Handbook Reference)
Isopropyl acetate, puriss. p.a., >=99.5% (GC)
InChI=1/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H
Microorganism:

Yes

IUPAC namepropan-2-yl acetate
SMILESCC(C)OC(=O)C
InchiInChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
Formula(CH3)2CHCOOCH3
PubChem ID7915
Molweight102.133
LogP0.7
Atoms17
Bonds16
H-bond Acceptor1
H-bond Donor0
Chemical Classificationesters

mVOC Specific Details

Volatilization
The Henry's Law constant for isopropyl acetate has been determined to be 2.78X10-4 atm-cu m/mole(1). This value indicates that isopropyl acetate is expected to volatilize from water surfaces(3,SRC). Based on this Henry's Law constant, the estimated volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 6 hours(3,SRC). The estimated volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 5 days(3,SRC). Isopropyl acetate's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of isopropyl acetate from dry soil surfaces may exist(SRC) based on a vapor pressure of 60.4 mm Hg(2).
Literature: (1) Betterton EA; pp. 1-50 in Gaseous Pollutants: Characterization and Cycling, Nriagu JO, Ed. John Wiley & Sons, Inc (1992) (2) Yaws CL; Handbook of Vapor Pressure. Volume 2 - C5 to C7 Compounds. Houston,TX: Gulf Publ Co (1994) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The Koc of isopropyl acetate is estimated as approximately 15(SRC), using a measured water solubility of 29,000 mg/l(1) and a regression-derived equation(2,SRC). According to a classification scheme(3), this estimated Koc value suggests that isopropyl acetate is expected to have very high mobility in soil(SRC).
Literature: (1) Yalkowsky SH, Dannenfelser RM; The AQUASOL dATAbASE of Aqueous Solubility. Fifth Ed, Tucson, AZ: Univ Az, College of Pharmacy (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
60.37 mm Hg @ 25 deg CYaws CL; Handbook of Vapor Pressure. Volume 2 - C5 to C7 Compounds. Houston,TX: Gulf Pub Co (1994)
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber Rufum March et al., 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber RufumPressure balanced head-space sampling and GC/TOF-MSNo