Phenylmethanal benzenecarboxaldehyde

Benzenecarboxaldehyde

Phenylformaldehyde

PENTADEOTERO BENZALDEHYDE

benzanoaldehyde

Benzenecarbonal

Benzenemethylal

Benzylaldehyde

Phenylmethanal

Phenylmethanone

benzaidehyde

benzaldehvde

benzaldehyde

Benzene carboxaldehyde

Benzyaldehyde

Benzadehyde

benzaldehyd

Benzaldehyde Natural

Benzene carbaldehyde

Natural Benzaldehyde

Aromatic aldehyde

HUMNYLRZRPPJDN-UHFFFAOYSA-N

Benzaldehyde FFC

Benzaldehyde, analytical standard

Benzene methylal

Benzoic aldehyde

Benzoyl hydride

Almond artificial essential oil

Bitter almond

Artificial almond oil

Benzoic acid aldehyde

HBX

Artificial bitter almond oil

bitter almond oil synthetic

(phenyl)methanone

Artificial essential oil of almond

Ben zoyl hydride

Artifical essential oil of almond

2vj1

Benzaldehyde (natural)

Ethereal oil of bitter almonds

SCHEMBL573

Synthetic oil of bitter almond

AC1L18SM

AC1Q6PV7

Benzaldehyde [USAN]

Benzaldehyde, pharmaceutical secondary standard; traceable to USP

Bitter almond oil, synthetic

Oil Of bitter almond

Benzaldehyde (NF)

NATURAL RSTD CASSIA OIL DIST FLAVOR

WLN: VHR

Benzaldehyde, European Pharmacopoeia (EP) Reference Standard

KSC176K2J

ACMC-1C91Y

CHEMBL15972

LS-27

NSC7917

UN1990

B2379

BDBM60953

Benzaldehyde, United States Pharmacopeia (USP) Reference Standard

CTK0H6524

HMDB06115

HSDB 388

nchembio814-comp15

TA269SD04T

BIDD:ER0249

LS41490

RP18863

C00193

C00261

CCRIS 2376

D02314

DSSTox_CID_134

UNII-TA269SD04T

ZINC895145

AK109012

BENZALDEHYDE REACTION PRODUCTS WITH HEPTANAL DISTN. LIGHTS

DTXSID8039241

NA 1989

NSC 7917

NSC-7917

OR035988

OR192667

PL039416

A800226

Benzaldehyde, AR, >=99%

Benzaldehyde, LR, >=99%

CHEBI:17169

NCI-C56133

AJ-24149

ANW-14310

DSSTox_GSID_39241

SC-19173

BDBM50139371

Caswell No. 076

DSSTox_RID_79432

MFCD00003299

MFCD00801585

ZINC00895145

AI3-09931

Benzaldehyde, purified by redistillation, >=99.5%

Benzaldehyde, ReagentPlus(R), >=99%

DB-023673

KB-250682

LT00939687

ST24030100

TC-103055

AKOS000119172

EPA Pesticide Chemical Code 008601

ghl.PD_Mitscher_leg0.170

I01-1667

I14-7330

FEMA No. 2127

FT-0622622

Benzaldehyde, >=98%, FG, FCC

Benzaldehyde, for synthesis, 95.0%

I14-90980

Benzaldehyde, 98% 250g

Benzaldehyde, SAJ special grade, >=98.0%

Tox21_113069

Tox21_113244

Tox21_200634

100-52-7

Ald3-H_000012

Benzaldehyde, Vetec(TM) reagent grade, 98%

F1294-0144

MCULE-7744113682

NCGC00091819-01

NCGC00091819-02

NCGC00091819-03

NCGC00258188-01

Benzaldehyde, natural, >=98%, FCC, FG

CAS-100-52-7

EINECS 202-860-4

55279-75-9

SR-01000944375

Ald3.1-H_000160

Ald3.1-H_000479

Ald3.1-H_000798

5044-EP2269979A1

5044-EP2269990A1

5044-EP2272491A1

5044-EP2272827A1

5044-EP2275404A1

5044-EP2275411A2

5044-EP2275412A1

5044-EP2277858A1

5044-EP2277865A1

5044-EP2277878A1

5044-EP2281818A1

5044-EP2284157A1

5044-EP2286915A2

5044-EP2287152A2

5044-EP2287159A1

5044-EP2289868A1

5044-EP2292593A2

5044-EP2295402A2

5044-EP2295410A1

5044-EP2295441A2

5044-EP2298767A1

5044-EP2298776A1

5044-EP2301534A1

5044-EP2301536A1

5044-EP2301538A1

5044-EP2305625A1

5044-EP2305629A1

5044-EP2305662A1

5044-EP2305679A1

5044-EP2305687A1

5044-EP2305769A2

5044-EP2305808A1

5044-EP2308562A2

5044-EP2311451A1

5044-EP2311455A1

5044-EP2311806A2

5044-EP2311840A1

5044-EP2314295A1

5044-EP2314586A1

5044-EP2314587A1

5044-EP2314593A1

5044-EP2316450A1

5044-EP2316832A1

5044-EP2316833A1

5044-EP2371831A1

5044-EP2374454A1

5044-EP2374783A1

5044-EP2377841A1

5044-EP2380871A1

Benzaldehyde, purum, >=98.0% (GC)

53585-EP2305651A1

53585-EP2308854A1

Benzaldehyde [UN1990] [Class 9]

Benzaldehyde on polystyrene, 0.8-1.5 mmol/g

125826-EP2287158A1

125826-EP2295422A2

SR-01000944375-1

Benzaldehyde [UN1990] [Class 9]

Benzaldehyde, puriss. p.a., >=99.0% (GC)

InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6

The Henry's Law constant for benzaldehyde is 2.67X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that benzaldehyde 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 1.5 days (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 14 days(SRC). Benzaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzaldehyde is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.27 mm Hg at 25 deg C(3).
Literature: (1) Betterton EA, Hoffmann MR; Environ Sci Technol 22: 1415-8 (1988) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Ambrose D et al; J Chem Therm 7: 1143-57 (1975)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of benzaldehyde can be estimated to be 11(SRC). According to a classification scheme(2), this estimated Koc value suggests that benzaldehyde is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 30, 2016: http://www2.epa.gov/tsca-screening-tools/ (2) Swann RL et al; Res Rev 85: 17-28 (1983)

METHYLSULFANYLMETHANE

Methanethiomethane

Dimethylsulphide

Methylthiomethane

dimethylsulfane

Dimethylsulfid

dimethylsulfide

Methylsulphide

Methylthiomethyl radical

Thiobismethane

(Methylthiomethylidyne)radical

methylsulfide

Dimethyl monosulfide

Thiopropane

dimethyl sulphide

Dimethyl thioether

Methyl monosulfide

QMMFVYPAHWMCMS-UHFFFAOYSA-N

reduced dimethyl sulfoxide

dimethyl sulfide

Methyl sulphide

Methyl thioether

Thiobis-methane

(Methylsulfanyl)methane

Methyl sulfide

REDUCED-DMSO

(methylthio)methane

Dimethyl sulfide, analytical standard

Dimethyl sulfoxide(Reduced)

Sulfure de methyle

(Methylsulfanyl)methane #

2-Thiapropane

2-Thiopropane

AC1L1ANN

Exact-S

Thiobis(methane)

ACMC-1BBLH

C2H6S

Dimethylsulfid [Czech]

Nat. Dimethyl Sulfide

Dimethyl sulfide (natural)

Methane, thiobis-

QS3J7O7L3U

KSC377G0P

Sulfide, methyl-

6873AF

CHEMBL15580

Dimethyl sulfide, >=99%

UN1164

UNII-QS3J7O7L3U

CTK2H7307

Dimethyl sulfide, 98%

HMDB02303

HSDB 356

M0431

[SMe2]

RP18263

Sulfure de methyle [French]

C00580

LTBB002388

(CH3)2S

DTXSID9026398

LS-2960

methyl sulphide, dimethyl sulphide, exact-S, thiobismethane

OR000121

OR337379

STL481894

UN 1164

A838342

CHEBI:17437

AN-23841

ANW-36574

KB-76628

SC-26847

Dimethyl sulfide, >=99%, FCC

MFCD00008562

AI3-25274

RTR-024212

TR-024212

AKOS009031411

I09-0087

Q-100810

BRN 1696847

Dimethyl sulfide, anhydrous, >=99.0%

FEMA No. 2746

FT-0603084

Methane, 1,1'-thiobis-

75-18-3

Dimethyl sulfide, 99% 250ml

MCULE-4525381422

Dimethyl sulfide, redistilled, >=99%, FCC, FG

EINECS 200-846-2

31533-72-9

Dimethyl sulfide [UN1164] [Flammable liquid]

Dimethyl sulfide, >=95.0% (GC)

Dimethyl sulfide, natural, >=99%, FCC, FG

MolPort-003-928-951

Dimethyl sulfide [UN1164] [Flammable liquid]

13741-EP2269977A2

13741-EP2277865A1

13741-EP2280006A1

13741-EP2284171A1

13741-EP2287153A1

13741-EP2298767A1

13741-EP2305656A1

13741-EP2308851A1

13741-EP2308873A1

13741-EP2311820A1

13741-EP2314576A1

13741-EP2314587A1

13741-EP2316836A1

13838-EP2292595A1

13838-EP2295409A1

13838-EP2295426A1

13838-EP2295427A1

13838-EP2295437A1

13838-EP2298775A1

13838-EP2311820A1

13838-EP2316836A1

18767-EP2270003A1

18767-EP2272832A1

18767-EP2277848A1

18767-EP2292576A2

18767-EP2292597A1

18767-EP2301933A1

18767-EP2305672A1

18767-EP2308510A1

18767-EP2308838A1

18767-EP2308877A1

18767-EP2311827A1

18767-EP2314576A1

18767-EP2314587A1

47704-EP2280006A1

47704-EP2311811A1

80926-EP2295426A1

80926-EP2295427A1

80926-EP2305687A1

Dimethyl sulfide, puriss., >=99.0% (GC)

InChI=1/C2H6S/c1-3-2/h1-2H

4-01-00-01275 (Beilstein Handbook Reference)

The Henry's Law constant for dimethyl sulfide has been measured as 1.61X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that dimethyl sulfide is expected to volatilize rapidly 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 3 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 3 days(SRC). Dimethyl sulfides's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of dimethyl sulfide from dry soil surfaces may exist(SRC) based upon a vapor pressure of 502 mm Hg(3).
Literature: (1) Gaffney, JS et al; Env Sci Tech 21: 519-23 (1987) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Vol 4. Design Inst Phys Prop Data, Amer Inst Chem Eng, NY, NY: Hemisphere Pub Corp (1989)

The Koc of dimethyl sulfide is estimated as 6.3(SRC), using a water solubility of 22,000 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that dimethyl sulfide is expected to have very high mobility in soil.
Literature: (1) Suzuki T; J Comp-Aided Molec Des 5: 149-66 (1991) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.0. Jan, 2009. Available from http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm as of Oct 1, 2009. (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #Air-dried, unsterilized moist, and sterilized moist soils exposed to air initially containing 500 ppm dimethyl sulfide adsorbed an avg of 32, 308, and 10 ug dimethyl sulfide/g soil, respectively, in 15 days(1). Time required for complete sorption of dimethyl sulfide by moist soil from air initially containing 100 ppm dimethyl sulfide: soil 1 (Weller) - 1st exposure 150 min, 2nd exposure 100 min, 3rd exposure 95 min; soil 2 (Harps) - 1st exposure 45 min, 2nd exposure 24 min, 3rd exposure 19 min(1). These data suggest that moist soils have a greater tendency to adsorb dimethyl sulfide than dry soils, and that microbial activity in moist soils may be responsible for greater adsorption(1). When natural gas containing 0.5 pounds of dimethyl sulfide per million cubic feet of gas was passed through a bed of pulverized, dry, montmorillonite clay, dimethyl sulfide exhibited a fast breakthrough (2 hours) and a fast build-up rate in effluent gas (85% of influent concn 4 hours after breakthrough), suggesting that dimethyl sulfide does not adsorb to dry soils(2).
Literature: (1) Bremner JM, Banwart WL; Soil Biol Biochem 8: 79-83 (1976) (2) Williams RP; Oper Sect Proc - Am Gas Assoc pp. T29-T37 (1976)

Isopentadiene

isoterpene

Chlorinated natural rubber

beta-Methylbivinyl

isopreno

ISOPRENE

RRHGJUQNOFWUDK-UHFFFAOYSA-N

Isopren

Polyisoprene, chlorinated

2-Methylbutadiene

Isoprene, analytical standard

2-Methyldivinyl

Isoprene, inhibited

AC1L1MSM

ISOPRENE, REAG

AC1Q1J4I

AC1Q1J4J

.beta.-Methylbivinyl

ACMC-209slm

NSC9237

7380AF

UN1218

Isoprene, >=99%

HSDB 620

I0160

I0772

CTK2H7308

RL05044

CH2=C(CH3)CH=CH2

CCRIS 6253

C16521

bmse000844

DSSTox_CID_761

0A62964IBU

LTBB001094

LS-1754

DTXSID2020761

NSC 9237

NSC-9237

OR000132

OR098975

OR327531

OR341562

CHEMBL1566132

UNII-0A62964IBU

ZINC1699876

CHEBI:35194

ANW-41336

DSSTox_GSID_20761

AN-42118

WLN: 1UY1&1U1

KB-52802

TRA0042245

DSSTox_RID_75776

MFCD00008600

TR-037841

3-Methyl-1,3-butadiene

2-Methylbuta-1,3-diene

2-Methyl-1,3-butadiene

RTR-037841

J-509898

AKOS000119971

FT-0627457

I14-49147

I14-19787

78-79-5

Tox21_200067

2-methyl-buta-1,3-diene

3B1-007327

CAS-78-79-5

NCGC00257621-01

NCGC00091078-02

NCGC00091078-01

1,3-Butadiene, 2-methyl-

EINECS 201-143-3

Isoprene, 99%, stabilized 100ml

UN 1218 (Salt/Mix)

68441-58-7

78006-92-5

954-EP2301924A1

954-EP2272935A1

954-EP2272843A1

1,3-Butadiene, 2-methyl-, homopolymer

954-EP2374781A1

954-EP2374780A1

954-EP2305825A1

954-EP2305668A1

954-EP2277945A1

954-EP2298313A1

954-EP2275427A1

954-EP2281817A1

954-EP2270113A1

954-EP2270101A1

823271-95-0

Isoprene, inhibited [UN1218] [Flammable liquid]

1,3-Butadiene, 2-methyl-, homopolymer, chlorinated

3-BUTENYL, 2-METHYLENE-(8CI,9CI)

Isoprene, 99%, contains <1000 ppm p-tert-butylcatechol as inhibitor

Isoprene, inhibited [UN1218] [Flammable liquid]

InChI=1/C5H8/c1-4-5(2)3/h4H,1-2H2,3H

The Henry's Law constant for isoprene is estimated as 0.077 atm-cu m/mole(SRC) derived from its vapor pressure, 550 mm Hg(1), and water solubility, 642 mg/L(2). This Henry's Law constant indicates that isoprene 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 2.4 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 3.3 days(SRC). Isoprene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of isoprene from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Zwolinski BJ, Wilhoit RC; Handbook of Vapor Pressures and Heats of Formation of Hydrocarbons and Related Compounds. API44-TRC101 College Station, TX: Thermodynamics Res Ctr p. 48 (1971) (2) McAuliffe C; J Phys Chem 70: 1267-75 (1966) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

The Koc of isoprene is estimated as 61(SRC), using a log Kow of 2.42(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that isoprene is expected to have high mobility in soil.
Literature: (1) Chemicals Inspection and Testing Institute. Japan Chemical Industry Ecology - Toxicology and Information Center. ISBN 4-89074-101-1 (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: 17-28 (1983)

Dimethylacetone

diathylketon

Diethylcetone

DIETHYLKETONE

Metacetone

Methacetone

FDPIMTJIUBPUKL-UHFFFAOYSA-N

Propione

dimethyl acetone

Ethyl propionyl

Diethyl ketone

DEK

diethylcetone(french)

Ethyl ketone

ethyl ethyl ketone

3-oxopentane

AC1L1OFJ

AC1Q2ROK

AC1Q5GYE

3-pentanon

3-PENTANONE

di-ethyl ketone

Pentanone-3

Diethylcetone [French]

UNII-Y4Y2BRI5UL component FDPIMTJIUBPUKL-UHFFFAOYSA-N

1,3-Dimethylacetone

3-Pentanone, analytical standard

9SLZ98M9NK

KSC492E6L

Pentan-3-one

3-Oxylatopentane-3-ylium

7317AF

CHEMBL45315

NSC8653

UN1156

UNII-9SLZ98M9NK

CTK3J2265

P0061

ACMC-209s6p

RP18460

HSDB 5301

WLN: 2V2

BBL027755

DTXSID6021820

NSC 8653

NSC-8653

OR034165

OR128391

OR245564

STL281851

UN 1156

(C2H5)2CO

1-pentan-3-one

3-Pentanone, >=99%

A845564

CHEBI:87755

DSSTox_CID_1820

ZINC1648158

AN-24339

ANW-40799

CJ-26591

DSSTox_GSID_21820

KB-33099

SC-75292

TRA0007787

BB_SC-6948

DSSTox_RID_76347

LMFA12000001

MFCD00009320

ZINC01648158

AI3-24337

LS-101912

RTR-030127

TR-030127

AKOS000119714

I14-4162

FT-0616299

96-22-0

Z234895377

Tox21_200677

F0001-2290

BUTYL, 1-METHYL-2-OXO-

CAS-96-22-0

3-Pentanone, for HPLC, 96%

3-Pentanone, ReagentPlus(R), >=99%

MCULE-8236549739

NCGC00166068-01

NCGC00166068-02

NCGC00258231-01

EINECS 202-490-3

Diethyl ketone [UN1156] [Flammable liquid]

3-Pentanone, 99% 100ml

MolPort-001-770-065

26071-EP2314558A1

92820-EP2269986A1

92820-EP2272825A2

92820-EP2295414A1

92820-EP2305649A1

Diethyl ketone [UN1156] [Flammable liquid]

103051-EP2269986A1

103051-EP2287154A1

103051-EP2289879A1

103051-EP2298753A1

103051-EP2301918A1

3-Pentanone, ReagentPlus(R), >=99.0% (GC)

InChI=1/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H

The Henry's Law constant for diethyl ketone is 5.0X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that diethyl ketone 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 19 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 8.6 days(SRC). diethyl ketone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Diethyl ketone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 37.7 mm Hg(3).
Literature: (1) Sander R; Compilation of Henry's Law constants for Inorganic and Organic Species of Potential Importance in Environmental Chemistry. (ver. 3) (1999). Available at http://www.henrys-law.org as of Aug 30, 2007. (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. NY, NY: Hemisphere Pub Corp, (1989)

The Koc of diethyl ketone is estimated as 82(SRC), using a log Kow of 0.99(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that diethyl ketone is expected to have high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 14 (1995) (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: 17-28 (1983)

Metylopropyloketon

Ethylacetone

Methylpropyl ketone

Pentanone

XNLICIUVMPYHGG-UHFFFAOYSA-N

Ethyl acetone

METHYL PROPYL KETONE

Methyl-propyl-cetone

Propyl methyl ketone

Metylopropyloketon [Polish]

AC1L1PSR

AC1Q2UJA

2-pentanal

2-Pentanone

Methyl Propyl Ketone FCC

pentanone-2

3bh3

Methyl n-propyl ketone

n-propyl methyl ketone

AC1Q5CH9

UNII-Y4Y2BRI5UL component XNLICIUVMPYHGG-UHFFFAOYSA-N

2-Pentanone, analytical standard

KSC176A8R

Pentan-2-on

PENTAN-2-ONE

ACMC-1C29M

CHEMBL45345

n-C3H7COCH3

NSC5350

UN1249

CTK0H6088

HSDB 158

Methyl-propyl-cetone [French]

P0060

4-methyl-2-butanone

LS-442

RP18455

2-Pentanone (natural)

C01949

LTBB001864

WLN: 3V1

ZINC901192

DTXSID0021888

FEMA Number 2842

LP124906

NSC 5350

NSC-5350

OR034164

OR133565

OR133566

OR251179

UN 1249

ZB015252

A801775

CHEBI:16472

DSSTox_CID_1888

2-Pentanone, 90%

AN-42836

ANW-15861

CJ-04530

DSSTox_GSID_21888

I97392I10V

SC-22796

TRA0046903

DSSTox_RID_76386

LMFA12000003

MFCD00009400

ZINC00901192

AI3-32118

KB-174028

RTR-001876

TR-001876

UNII-I97392I10V

AKOS000121554

I11-0032

BRN 0506058

FEMA No. 2842

FT-0613263

2-Pentanone, reagent grade, >=90%

Tox21_201670

Tox21_303016

107-87-9

F0001-0145

MCULE-7174095676

NCGC00249095-01

NCGC00256617-01

NCGC00259219-01

2-Pentanone, ultrapure grade, >=99.5%

CAS-107-87-9

EINECS 203-528-1

2-Pentanone, 99% 25g

2-Pentanone, >=98%, FCC, FG

2-Pentanone, ReagentPlus(R), >=99%, purified by redistillation

Methyl propyl ketone [UN1249] [Flammable liquid]

MolPort-001-783-786

2-Pentanone, for HPLC, 99.5%

92819-EP2269986A1

92819-EP2287154A1

92819-EP2289879A1

92819-EP2305649A1

161716-EP2287158A1

Methyl propyl ketone [UN1249] [Flammable liquid]

4-01-00-03271 (Beilstein Handbook Reference)

InChI=1/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H

The Henry's Law constant for 2-pentanone is 8.36X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that 2-pentanone 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 12 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 6.6 days(SRC). 2-Pentanone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Pentanone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 35.4 mm Hg(3).
Literature: (1) Shiu WY, Mackay D; J Chem Eng Data 42: 22-30 (1987) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Riddick JA et al; Organic Solvents: Physical Properties and Methods of Purification 4th ed. NY, NY: Wiley Interscience (1985)

The Koc of 2-pentanone is estimated as 75(SRC), using a log Kow of 0.91(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-pentanone is expected to have high mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 14 (1995) (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: 17-28 (1983)

Cyclohexanone homopolymer

cyclohexanone,homopolymer

Ketohexamethylene

POLYCYCLOHEXANONE

ketocyclohexane

oxocyclohexane

Cicloesanone

Cyclohexanon

CYCLOHEXANONE

cyclohexyloxy

Cykloheksanon

Cyclohexanone, homopolymer

Cyclohexyl ketone

JHIVVAPYMSGYDF-UHFFFAOYSA-N

Cyclohexanone, analytical standard

hexanoe

Hexanon

Hytrolo

Nadone

Sextone

Anon

Anone

Cyclic ketone

Pimelic ketone

Pimelin ketone

CYH

resins, cyclohexanone

2-cyclohexanone

BDBM6

Cyclohexanon(dutch)

CYCLOHEXANONE, ACS

AC1L1PYR

AC1Q6ENS

Hydrol-e

Hytrol O

Cyclohexanone (Industrial Grade)

Cicloesanone [Italian]

Cykloheksanon [Polish]

cyclohexan-1-one

Cyclohexanon [Dutch]

ACMC-1BP9A

Cyclohexanone - Reagent Grade ACS

KSC491S9H

CHEMBL18850

Cyclohexanone-1-13C

NSC5711

UN1915

WLN: L6VTJ

5QOR3YM052

CTK3J1993

HMDB03315

HSDB 186

Y1320

BIDD:ER0292

DB02060

LS-475

RL00382

bmse000405

C00414

CCRIS 5897

DSSTox_CID_359

HMS3039C04

RCRA waste number U057

UNII-5QOR3YM052

BC214118

Cyclohexanone, 99.8%

Cyclohexanone, LR, >=99%

DTXSID6020359

HE341618

NSC 5711

NSC-5711

OR034252

OR201448

OR369125

SBB060074

UN 1915

CHEBI:17854

CYCLOHEXYL, 2-OXO-

NCI-C55005

ZINC4528575

AN-19440

AN-42917

ANW-15994

CJ-12122

DSSTox_GSID_20359

TRA0078638

Caswell No. 270

DSSTox_RID_75537

MFCD00001625

ZINC04528575

AI3-00041

DB-059799

RTR-002012

ST50214418

TR-002012

AKOS000119815

EPA Pesticide Chemical Code 025902

I01-1194

J-520160

RCRA waste no. U057

Cyclohexanone, ACS reagent, >=99.0%

Cyclohexanone, AR, >=99.5%

FT-0624193

MLS002152896

SMR001224507

Cyclohexanone, 99% 100ml

I14-20861

I14-53082

Z955123528

Cyclohexanone, JIS special grade, >=99.0%

Cyclohexanone, Selectophore(TM), >=99.5%

Tox21_202121

Tox21_302750

108-94-1

Cyclohexanone, SAJ first grade, >=98.0%

Cyclohexanone, Vetec(TM) reagent grade, 98%

F0001-0185

Cyclohexanone [UN1915] [Flammable liquid]

Cyclohexanone, ReagentPlus(R), 99.8%

9003-41-2

9075-99-4

MCULE-5664385838

NCGC00091786-01

NCGC00091786-02

NCGC00256489-01

NCGC00259670-01

CAS-108-94-1

EINECS 203-631-1

11119-77-0

Cyclohexanone [UN1915] [Flammable liquid]

Cyclohexanone, p.a., 99.0%

2628-EP2269986A1

2628-EP2269990A1

2628-EP2269995A1

2628-EP2270113A1

2628-EP2272817A1

2628-EP2272825A2

2628-EP2272832A1

2628-EP2272849A1

2628-EP2272935A1

2628-EP2274983A1

2628-EP2275403A1

2628-EP2275407A1

2628-EP2275411A2

2628-EP2275469A1

2628-EP2277878A1

2628-EP2280005A1

2628-EP2280009A1

2628-EP2281810A1

2628-EP2281812A1

2628-EP2284148A1

2628-EP2284165A1

2628-EP2286915A2

2628-EP2287153A1

2628-EP2287159A1

2628-EP2287940A1

2628-EP2289868A1

2628-EP2289884A1

2628-EP2289893A1

2628-EP2289897A1

2628-EP2289965A1

2628-EP2292592A1

2628-EP2292593A2

2628-EP2292599A1

2628-EP2292606A1

2628-EP2295407A1

2628-EP2295438A1

2628-EP2298736A1

2628-EP2298763A1

2628-EP2298767A1

2628-EP2298828A1

2628-EP2299326A1

2628-EP2301918A1

2628-EP2301919A1

2628-EP2301924A1

2628-EP2301983A1

2628-EP2302003A1

2628-EP2305655A2

2628-EP2305658A1

2628-EP2305668A1

2628-EP2308838A1

2628-EP2308848A1

2628-EP2308851A1

2628-EP2308857A1

2628-EP2308858A1

2628-EP2308883A1

2628-EP2308926A1

2628-EP2309564A1

2628-EP2311807A1

2628-EP2311815A1

2628-EP2311816A1

2628-EP2311817A1

2628-EP2314558A1

2628-EP2314583A1

2628-EP2316824A1

2628-EP2316832A1

2628-EP2316833A1

2628-EP2316836A1

2628-EP2371805A1

2628-EP2377845A1

MolPort-000-871-993

22788-EP2270011A1

22788-EP2272517A1

22788-EP2272817A1

22788-EP2272822A1

22788-EP2272832A1

22788-EP2272935A1

22788-EP2275398A1

22788-EP2275401A1

22788-EP2275409A1

22788-EP2275469A1

22788-EP2277867A2

22788-EP2280003A2

22788-EP2280009A1

22788-EP2280010A2

22788-EP2281817A1

22788-EP2287940A1

22788-EP2289887A2

22788-EP2289888A2

22788-EP2289895A1

22788-EP2289965A1

22788-EP2292592A1

22788-EP2292597A1

22788-EP2292606A1

22788-EP2292611A1

22788-EP2295414A1

22788-EP2295421A1

22788-EP2295422A2

22788-EP2295436A1

22788-EP2298731A1

22788-EP2298746A1

22788-EP2298750A1

22788-EP2298767A1

22788-EP2298772A1

22788-EP2298774A1

22788-EP2298828A1

22788-EP2301921A1

22788-EP2301926A1

22788-EP2301983A1

22788-EP2305250A1

22788-EP2305633A1

22788-EP2305651A1

22788-EP2308510A1

22788-EP2308562A2

22788-EP2308839A1

22788-EP2308854A1

22788-EP2311810A1

22788-EP2313397A1

22788-EP2313398A1

22788-EP2314575A1

22788-EP2314583A1

22788-EP2314587A1

22788-EP2315502A1

22788-EP2371810A1

78030-EP2272846A1

78030-EP2275422A1

78030-EP2277868A1

78030-EP2277869A1

78030-EP2277870A1

78030-EP2287158A1

78030-EP2292608A1

78030-EP2298076A1

78030-EP2298077A1

78030-EP2298762A2

78030-EP2301353A1

78030-EP2305031A1

78030-EP2305033A1

78030-EP2305034A1

78030-EP2305035A1

78030-EP2308866A1

78030-EP2371823A1

78030-EP2374791A1

Cyclohexanone, puriss., >=99.5% (GC)

cyclohexanon, homopolymer (mittlere molmasse 415-750 g/mol)

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

InChI=1/C6H10O/c7-6-4-2-1-3-5-6/h1-5H

The Henry's Law constant for cyclohexanone, 9.00X10-6 atm-cu m/mol at 25 degC(1), may be used to estimated the volatilization half-lives of cyclohexanone from a model river and lake. Its half-life in a 1 m deep model river with a 1 m/s current and 3 m/s wind is 4.1 days(2). Its half-life in a model lake 1 m deep with a 0.05 m/s current and a 0.5 m/s wind is 33 days. In view of cyclohexanone's moderate vapor pressure, 4.33 mm Hg at 25 degC(3), and low soil adsorptivity, it would be expected to volatilize from surface layers of soil(2).
Literature: (1) Hawthorne SB et al; Environ Sci Technol 19: 992-7 (1985) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. NY,NY: McGraw Hill Book Co pp. 15-15 to 15-29 (1982) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals. NY,NY: Hemisphere Publ. Corp. 4 Vol (1989)

The Koc for cyclohexanone estimated using structure activity relationships (SAR) is 15(1). A Koc of 17 can be estimated from the water solubility, 23,000 mg/L(2), using a recommended regression equation(3). According to a suggested classification scheme(4), these Koc values indicate that cyclohexanone will be highly mobile in soil.
Literature: (1) Meylan WM, Howard PH; Environ Sci Technol 26: 1560-7 (1992) (2) Riddick JA et al; Organic Solvents, 4th ed pp. 344-5. NY,NY: Wiley (1986) (3) Lyman WJet al; Handbook of Chemical Property Estimation Methods. NY,NY: McGraw Hill Book Co (1982) (4) Swann RL et al; Res Rev 85: 17-28 (1983)

Caprinaldehyde

Decanaldehyde

Capraldehyde

DECALDEHYDE

Caprinic aldehyde

KSMVZQYAVGTKIV-UHFFFAOYSA-N

KSMVZQYAVGTKIV-UHFFFAOYSA-

n-DECYLALDEHYDE

Capric aldehyde

Decylic aldehyde

Decanal

n-Decaldehyde

Decyl aldehyde

n-Decanal

Decanal, analytical standard

n-Decyl aldehyde

AC1Q2VYO

AC1L1QFM

1-Decanal

Aldehyde C10

1-Decyl aldehyde

SCHEMBL2540

Decanal (natural)

KSC176G3J

U211

NSC6087

ACMC-1C59Q

C-10 aldehyde

D0032

CTK0H6334

Aldehyde C-10

HSDB 288

31Z90Q7KQJ

WLN: VH9

HMDB11623

NE10468

N-decanal (capric aldehyde)

1-Decanal(mixed isomers)

C12307

UNII-31Z90Q7KQJ

LS-2367

CHEMBL2228377

LP001404

NSC 6087

NSC-6087

DTXSID4021553

SBB058676

Jsp000949

ZINC1693270

A802551

CHEBI:31457

DSSTox_CID_1553

ANW-16447

AN-22691

Natural Decanal(C-10)

KB-49635

EBD2219840

SC-22770

DSSTox_GSID_21553

AK-44487

TRA0073044

MFCD00007031

LMFA06000052

DSSTox_RID_76207

ST24030299

AI3-04860

DB-041074

ST51037233

RTR-002413

TR-002413

AKOS000120018

S14-1463

J-002749

FEMA No. 2362

BRN 1362530

FT-0631643

I14-13645

Decanal, natural, >=97%, FG

Tox21_302656

EN300-20146

112-81-2

112-31-2

decanal (ACD/Name 4.0)

Decanal, >=95%, FCC, FG

NCGC00256769-01

CAS-112-31-2

Decanal, >=98% (GC), liquid

EINECS 203-957-4

MolPort-001-769-696

InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3

The Henry's Law constant for decaldehyde is 1.8x10-3 atm-cu m/mole(1). This Henry's Law constant indicates that decaldehyde 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 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 5 days(SRC). Decaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Decaldehyde is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.103 mm Hg(3).
Literature: (1) Zhou X, Mopper K; Environ Sci Technol 24: 1482-5 (1990) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis, (1989)

In water 0.00156 mg/L at 25 deg C
Literature: Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 739
Literature: #Soluble in ethanol, ether, acetone; slightly soluble in carbon tetrachloride
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-142
Literature: #Soluble in 80% alcohol, fixed oils, volatile oils, mineral oil; insoluble in glycerol
Literature: Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 371

Using a structure estimation method based on molecular connectivity indices(1), the Koc of decaldehyde can be estimated to be 70(SRC). According to a classification scheme(2), this estimated Koc value suggests that decaldehyde is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 20, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)