HEPTANE

n-Heptane

142-82-5

Heptan

Heptyl hydride

Dipropyl methane

Dipropylmethane

Gettysolve-C

Skellysolve C

Heptanen

Eptani

HSDB 90

NSC 62784

Heptanes

EINECS 205-563-8

UNII-456148SDMJ

Heptane (GC grade)

DTXSID6024127

CHEBI:43098

AI3-28784

456148SDMJ

MFCD00009544

NSC-62784

DTXCID004127

EC 205-563-8

HEPTANE (II)

HEPTANE [II]

Pentane, ethyl-

Heptan [Polish]

Eptani [Italian]

Heptanen [Dutch]

normal-Heptane

HP6

UN1206

normal heptane

heptan-e

2ygu

Heptane; Dipropylmethane; Heptyl hydride; NSC 62784; Skellysolve C; n-Heptane

high purity heptane

pharma grade heptane

Heptane, for HPLC

n-Heptane, anhydrous

industry grade heptane

n-Heptane, 99%

n-Heptane HPLC grade

HPLC Grade n-Heptane

n-Heptane, HPLC grade

HEPTANE [HSDB]

HEPTANE [INCI]

Heptane, 99.5%

Heptane, technical grade

HEPTANE (N)

N-HEPTANE [MI]

HEPTANE [USP-RS]

Heptane, anhydrous, 99%

Exxsol heptane (Salt/Mix)

Heptane, p.a., 95%

pharmaceutical grade heptane

Heptane, Laboratory Reagent

Heptane, analytical standard

Heptane, AR, >=99%

Heptane, LR, >=99%

WLN: 7H

Heptane, ASTM, 99.8%

n-C7H16

Heptane, p.a., 95.0%

n-Heptane, Environmental Grade

CHEMBL134658

Heptane, for HPLC, >=96%

Heptane, for HPLC, >=99%

CH3-(CH2)5-CH3

DTXSID60187245

DTXSID80188294

Heptane, HPLC grade, >=99%

Heptane, ReagentPlus(R), 99%

Heptane, purification grade, 99%

Heptane, >=99% (capillary GC)

Heptane, biotech. grade, >=99%

Heptanes (30-40 % n-heptane)

AMY22304

Heptane, for HPLC, >=99.5%

NSC62784

Tox21_201213

Heptane, puriss., >=99% (GC)

LMFA11000575

AKOS009158011

Heptane, p.a., 88.0-92.0%

Heptane, UV HPLC spectroscopic, 95%

MCULE-5817084747

Heptane, SAJ first grade, >=98.0%

Heptane, spectrophotometric grade, 99%

Heptane, SAJ special grade, >=99.0%

NCGC00248959-01

NCGC00258765-01

CAS-142-82-5

Heptane, UV HPLC spectroscopic, 99.5%

Heptanes [UN1206] [Flammable liquid]

LS-13366

n-Heptane 100 microg/mL in Acetonitrile

H0027

H0088

H0491

Heptane, puriss. p.a., >=99.5% (GC)

NS00004625

Q0037

A807968

Heptane, for preparative HPLC, >=99.7% (GC)

Q310957

J-007700

n-Heptane HPLC, UV-IR min. 99%, isocratic grade

n-Heptane, Spectrophotometric Grade, 99% n-Heptan

F1908-0180

B7F4D751-FB0E-4F48-9829-D952CEC36530

Heptane, United States Pharmacopeia (USP) Reference Standard

InChI=1/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H

Heptane, Pharmaceutical Secondary Standard; Certified Reference Material

Heptane, PRA grade, 96% n-isomer basis, >=99.9% C7 isomers basis

Heptane, puriss. p.a., Reag. Ph. Eur., >=99% n-heptane basis (GC)

Heptane Fraction, puriss. p.a., Reag. Ph. Eur., >=99% n-heptane basis (GC)

Heptane, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.5% (GC)

The Henry's Law constant for n-heptane is estimated as 1.8 atm-cu m/mole(SRC) derived from its vapor pressure, 46 mm Hg(1), and water solubility, 3.4 mg/L(2). This Henry's Law constant indicates that n-heptane is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 2.9 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 4.0 days(SRC). n-Heptane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of n-heptane from dry soil surfaces may exist(SRC) based upon a vapor pressure of 46 mm Hg(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Yalkowsky,SH et al; Handbook of Aqueous Solubility Data. 2nd Edition. Boca Raton, FL: CRC Press, p. 437 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Literature: #In a study quantifying the passive volatilization of a synthetic gasoline and its individual components in three air-dried soils over a period of up to 16 days, n-heptane had a volatilization half-life of approximately 10 hours in a loamy sand at a depth of 50 mm(1). Using different soil types, n-heptane, at a depth of 50 mm, volatilized first from sand, followed by a loamy sand and finally a silt loam, showing that as the particle size of the soil decreased and the clay and organic content matter increased, the volatilization rate decreased(1). Complete volatilization of n-heptane from a tray containing a gasoline pool thickness of 7 mm at a temperature of 18.5 deg C occurred after approximately 5.6 hours(1). In a study in which a jet fuel mixture was incubated in freshwater from the Escambia River, FL at 25 deg C, a 99% loss of n-heptane in the controls was attributed to evaporation(2). n-Heptane as a component of missile fuel was also lost to volatilization within 5 hours when incubated with water from the Range Point salt marsh, FL(3). n-Heptane degradation was observed in active and sterile sandy loam treated with JP-4 jet fuel (10 uL per gram of soil)(4). The concentration of n-heptane at 0 time was 0.277 ug/mL in the active soil and 0.235 ug/mL in the sterile soil while the concentrations in both soils were 0 ug/mL when they were tested a second time after 5 days; evaporation was considered to be the primary removal process(4).
Literature: (1) Arthurs P et al; J Soil Contam 4: 123-35 (1995) (2) Spain JC et al; Degrad of Jet Fuel Hydrocarbons by Aquatic Microbial Communities. Tyndall AFB, FL: Air Force Eng Serv Ctr AFESC/ESL-TR-83-26 NTIS AD-A139791/8 p. 226 (1983) (3) Spain JC, Somerville CC; Chemosphere 14: 239-48 (1985) (4) Dean-Ross D; Bull Environ Contam Toxicol 51: 596-99 (1993)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of n-heptane can be estimated to be 240(SRC). According to a classification scheme(2), this estimated Koc value suggests that n-heptane is expected to have moderate mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of October 1, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Propyl acetate

109-60-4

N-PROPYL ACETATE

Acetic acid, propyl ester

Propyl ethanoate

1-Acetoxypropane

1-Propyl acetate

n-Propyl ethanoate

Octan propylu

Acetic acid n-propyl ester

Acetate de propyle normal

n-Propyl acetate (natural)

Acetic acid propyl ester

FEMA No. 2925

Propylester kyseliny octove

NSC 72025

HSDB 161

n-propanol acetate

EINECS 203-686-1

Acetic acid, n-propyl ester

UNII-4AWM8C91G6

BRN 1740764

4AWM8C91G6

DTXSID6021901

CHEBI:40116

AI3-24156

NSC-72025

DTXCID301901

ACETIC ACID,PROPYL ESTER

EC 203-686-1

4-02-00-00138 (Beilstein Handbook Reference)

PROPYL ACETATE (USP-RS)

PROPYL ACETATE [USP-RS]

Octan propylu [Polish]

Acetate de propyle normal [French]

Propylester kyseliny octove [Czech]

UN1276

?Propyl acetate

Propyl acetate, 99%

CH3COOCH2CH2CH3

Acetic acid-n-propyl ester

Propyl ester of acetic acid

PROPYL ACETATE [MI]

FEMA NUMBER 2935

SCHEMBL14991

PROPYL ACETATE [FCC]

WLN: 3OV1

CHEMBL44857

PROPYL ACETATE [FHFI]

PROPYL ACETATE [INCI]

Propyl acetate, >=99.5%

Propyl acetate, >=98%, FG

N-PROPYL ACETATE [HSDB]

N-Propyl acetate LBG-64752

Propyl acetate, analytical standard

ACETIC ACID, N-PROPYL ETHER

NSC72025

Tox21_202012

MFCD00009372

STL280317

AKOS008949448

DB01670

MCULE-7327042566

UN 1276

NCGC00249148-01

NCGC00259561-01

CAS-109-60-4

LS-13075

DB-040874

A0044

NS00003289

Propyl acetate, natural, >=97%, FCC, FG

n-Propyl acetate [UN1276] [Flammable liquid]

Q415750

Analytical Reagent, inverted exclamation markY99.0%

J-002310

InChI=1/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H

Propyl acetate, United States Pharmacopeia (USP) Reference Standard

Propyl Acetate, Pharmaceutical Secondary Standard; Certified Reference Material

The Henry's Law constant for n-propyl acetate is reported as 2.18X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that n-propyl acetate is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 7 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 5.2 days(SRC). n-Propyl acetate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Propyl acetate is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 35.9 mm Hg(3).
Literature: (1) Staudinger J, Roberts PV; Crit Rev Environ Sci Technol 26: 205-97 (1996) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Yaws CL; Handbook of Vapor Pressure Vol 2 C5-C7 Compounds. Houston, TX: Gulf Publ Co TX (1994)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of n-propyl acetate can be estimated to be 10(SRC). According to a classification scheme(2), this estimated Koc value suggests that n-propyl acetate is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of Oct 19, 2011: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

ISOBUTYL ACETATE

110-19-0

2-Methylpropyl acetate

Isobutyl ethanoate

2-Methylpropyl ethanoate

Acetic acid, 2-methylpropyl ester

2-Methyl-1-propyl acetate

Acetic acid, isobutyl ester

Acetate d'isobutyle

iso-butyl acetate

Isobutylacetat

i-butyl acetate

beta-Methylpropyl ethanoate

Acetic Acid Isobutyl Ester

Isobutylazetat

Isobutyl acetate (natural)

Isobutylester kyseliny octove

FEMA No. 2175

FEMA Number 2175

NSC 8035

HSDB 609

UNII-7CR47FO6LF

EINECS 203-745-1

7CR47FO6LF

BRN 1741909

DTXSID5026837

CHEBI:50569

Essigsaeureisobutylester

AI3-15305

NSC-8035

.beta.-Methylpropyl ethanoate

2-Methyl-1-propanol, acetate

DTXCID906837

EC 203-745-1

4-02-00-00149 (Beilstein Handbook Reference)

Isobutyl acetate, 99%

ISOBUTYL ACETATE (USP-RS)

ISOBUTYL ACETATE [USP-RS]

Acetate d'isobutyle [French]

Isobutyl acetate; Acetic acid-isobutyl ester

UN1213

Isobutylester kyseliny octove [Czech]

iso-butylacetate

AcOiBu

Iso Butyl Acetate

Isobutyl acetate fcc

Tri IBAC

MFCD00008932

IBAC

Tri IsoButyl Acetate

Tri Iso Butyl Acetate

Isobutyl acetate, 8CI

beta-methylpropyl acetate

Acetic acid-isobutyl ester

Isobutyl acetate [UN1213] [Flammable liquid]

beta -methylpropyl ethanoate

SCHEMBL22678

2-Methylpropyl acetate, 9CI

CHEMBL46999

ISOBUTYL ACETATE [MI]

ISOBUTYL ACETATE [FCC]

ISOBUTYL ACETATE [FHFI]

ISOBUTYL ACETATE [HSDB]

ISOBUTYL ACETATE [INCI]

FEMA 2175

NSC8035

WLN: 1Y1 & 1OV1

Tox21_201735

Isobutyl acetate, analytical standard

STL280347

AKOS015901357

Isobutyl acetate, >=98%, FCC, FG

MCULE-4530584087

UN 1213

NCGC00249107-01

NCGC00259284-01

CAS-110-19-0

LS-13178

A0034

NS00005635

Isobutyl acetate, natural, >=97%, FCC, FG

Isobutyl acetate [UN1213] [Flammable liquid]

Q420657

J-002396

F0001-0218

Acetic acid-isobutyl ester 1000 microg/mL in Acetonitrile

InChI=1/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H

Isobutyl acetate, United States Pharmacopeia (USP) Reference Standard

The Henry's Law constant for isobutyl acetate is reported as 4.54X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that isobutyl acetate is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 5.2 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4.9 days(SRC). Isobutyl acetate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Isobutyl acetate is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 17.8 mm Hg(3).
Literature: (1) Betterton EA; pp. 1-50 in Gas Pollut: Character Cycl., Nriagu JO ed., New York, NY: John Wiley and Sons (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Yaws CL; Handbook of Vapor Pressure Vol 2 C5-C7 Compounds. Houston, TX: Gulf Pub Co (1994)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of isobutyl acetate can be estimated to be 16(SRC). According to a classification scheme(2), this estimated Koc value suggests that isobutyl acetate is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of Oct 20, 2011: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)