Results for:
PubChem ID: 7915

Propan-2-yl Acetate

Mass-Spectra

Compound Details

Synonymous names
ISOPROPYL ACETATE
108-21-4
2-Propyl acetate
2-Acetoxypropane
propan-2-yl acetate
Acetic acid, 1-methylethyl ester
Isopropyl ethanoate
Isopropylacetat
Paracetat
Isopropylacetaat
Acetic Acid, isopropyl ester
1-Methylethyl acetate
Acetate d'isopropyle
Isopropylester kyseliny octove
Isopropile (acetato di)
Isopropyl (acetate d')
FEMA No. 2926
Acetic Acid Isopropyl Ester
NSC 9295
Isopropile(acetato di)
CCRIS 6053
HSDB 159
Isopropyle (acetate d')
iso-propyl acetate
EINECS 203-561-1
sec-Propyl acetate
IPAc
UNII-1Y67AFK870
Isopropyl ester of acetic acid
BRN 1740761
IsopropylAcetate-d10
Acetic acid 1-methylethyl ester
DTXSID2025478
1Y67AFK870
NSC-9295
CH3COOCH(CH3)2
Acetic acid, 2-propyl ester
DTXCID605478
EC 203-561-1
4-02-00-00141 (Beilstein Handbook Reference)
ISOPROPYL ACETATE (USP-RS)
ISOPROPYL ACETATE [USP-RS]
Isopropylacetaat [Dutch]
Isopropylacetat [German]
CAS-108-21-4
Acetate d'isopropyle [French]
Isopropyl (acetate d') [French]
Isopropyle (acetate d') [French]
Isopropile (acetato di) [Italian]
UN1220
ISOPROPYL ACETATE (1,1,1,3,3,3-D6)
Isopropylester kyseliny octove [Czech]
2-propylacetate
Ispropyl acetate
iso-propylacetate
i-propyl acetate
AcOiPr
iPrOAc
iso-PrOAc
so-Propyl acetate
i-PrOAc
Iso Propyl Acetate
Tri IPAC
MFCD00008877
T-IsoPropyl Acetate
T-Iso Propyl Acetate
Tri IsoPropyl Acetate
propan-2-yl ethanoate
Isopropyl(acetate d')
Isopropylacetat(german)
Tri Iso Propyl Acetate
2-METHYLETHANOATE
Isopropyl acetate, 98%
Isopropyl acetate, 99%
Acetic acid-isopropyl ester
Isopropyl acetate [UN1220] [Flammable liquid]
WLN: 1YOV1
1-Methylethyl acetate, 9CI
SCHEMBL19193
acetic acid propan-2-yl ester
ISOPROPYL ACETATE [MI]
ISOPROPYL ACETATE [FCC]
Isopropyl acetate, >=99.6%
CHEMBL1608674
ISOPROPYL ACETATE [FHFI]
ISOPROPYL ACETATE [HSDB]
ISOPROPYL ACETATE [INCI]
FEMA 2926
NSC9295
Isopropyl acetate, >=99%, FCC
Tox21_201443
Tox21_303287
Isopropyl acetate, analytical standard
AKOS008949447
AT32600
MCULE-6152257819
UN 1220
NCGC00091731-01
NCGC00091731-02
NCGC00257073-01
NCGC00258994-01
LS-13071
A0036
NS00005278
EN300-42702
A801824
Isopropyl acetate [UN1220] [Flammable liquid]
Q419799
Isopropyl acetate, puriss. p.a., >=99.5% (GC)
J-002073
Isopropyl acetate, anhydrous, ZerO2(TM), >=99.6%
InChI=1/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H
Isopropyl acetate, United States Pharmacopeia (USP) Reference Standard
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
FormulaC5H10O2
PubChem ID7915
Molweight102.13
LogP0.9
Atoms7
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID230546
Supernatural-IDSN0169478

mVOC Specific Details

Boiling Point
DegreeReference
88.6 °C peer reviewed
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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber RufumNAMarch et al. 2006
Lactobacillus PlantarumZhang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber RufumPressure balanced head-space sampling and GC/TOF-MSno
Lactobacillus PlantarumHabanero pepperGC–IMSno