beta-Cyclocitral

432-25-7

b-cyclocitral

2,6,6-Trimethylcyclohexene-1-carbaldehyde

2,6,6-trimethylcyclohex-1-ene-1-carbaldehyde

1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-

.beta.-Cyclocitral

2,6,6-TRIMETHYL-1-CYCLOHEXENE-1-CARBOXALDEHYDE

CYCLOCITRAL

2,6,6-trimethylcyclohex-1-enecarbaldehyde

alpha(beta)-Cyclocitral

2,6,6-Trimethylcyclohexenecarbaldehyde

1-Formyl-2,6,6-trimethyl-1-cyclohexene

beta -cyclocitral

Cyclohexenecarboxaldehyde, 2,6,6-trimethyl-

MFCD00079078

52844-21-0

DTXSID7047142

CHEBI:53177

2,6,6-Trimethyl-1-cyclohexen-1-carboxaldehyde

77Y0U2X29G

2,6,6-trimethyl-cyclohexene-1-carboxaldehyde

2,6,6-Trimethyl-1-cyclohexene-1-carbaldehyde

UNII-77Y0U2X29G

beta cyclocitral

beta-cyclocitrol

beta-Cyclocitral, Technical Grade

EINECS 207-081-3

AI3-37227

2,6,6-Trimethyl-1-cyclohexenecarboxaldehyde

UNII-GLL5338RMI

beta-Cyclocitral, >=95%

GLL5338RMI

CYCLOCITRAL, .BETA.-

SCHEMBL309759

b-Cyclocitral, Technical Grade

CHEMBL1952257

DTXCID5027142

?-Cyclocitral, Technical Grade

EINECS 258-219-4

Tox21_302524

beta-Cyclocitral, analytical standard

AKOS022504751

CS-W010947

HY-W010231

MCULE-7819289735

FEMA NO. 3639, .BETA.-

NCGC00256741-01

AS-56746

CAS-432-25-7

SY029933

2,6,6-Trimethyl-1-cyclohexenecarbaldehyde

2,6,6-Trimethyl-Cyclohexenecarboxaldehyde

2,6,6-trimethyl-cyclohexene-1-carbaldehyde

DB-302496

NS00013267

C20425

EN300-180215

F14917

2,6,6-Trimethyl-1-cyclohexene-1-carbaldehyde #

W-202757

Q27124011

Z1255386953

Pentadeuterio-beta-cyclocitral;1-Formyl-2,6,6-trimethyl-1-cyclohexene

InChI=1/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H

1-HEPTADECENE

heptadec-1-ene

6765-39-5

HEPTADECENE

Hexahydroaplotaxene

NSC 77132

26266-05-7

64743-02-8

MFCD00009000

NSC-77132

P33057D09T

heptadecen

1-aHeptadecene

UNII-P33057D09T

EINECS 229-825-6

EINECS 247-567-2

EINECS 265-207-2

C17H34

C30-38 olefin

1-Heptadecene, 98%

AI3-36483

UNII-04DAD0KDZ0

04DAD0KDZ0

CHEBI:64502

DTXSID00873236

NSC77132

LMFA11000318

AKOS015912747

1-heptadecene [standard material for gc]

DB-055053

H0372

NS00046571

S0347

D90849

Q27104917

BETA-IONONE

79-77-6

14901-07-6

(E)-beta-Ionone

trans-beta-Ionone

4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one

4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one

(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one

(E)-4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one

.beta.-Ionone

b-ionone

beta-E-Ionone

4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

beta-Cyclocitrylideneacetone

3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-

FEMA No. 2595

CCRIS 6249

NSC 402758

beta-Ionon

(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one

UNII-A7NRR1HLH6

A7NRR1HLH6

EINECS 238-969-9

Ionone, .beta.-

3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

CCRIS 4289

beta-Ionone (trans)

trans-.beta.-Ionone

DTXSID4021769

CHEBI:32325

(E)-|A-Ionone

IONONE, BETA

EINECS 201-224-3

EINECS 288-959-3

(E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

MFCD00001549

NSC-46137

9-apo-beta-caroten-9-one

NSC-402758

3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-

BRN 1909544

.beta.-Cyclocitrylideneacetone

AI3-25073

DTXCID901769

4-(2,6,6-Trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one

HSDB 8269

.beta.-Ionene

EC 201-224-3

EC 238-969-9

2-07-00-00140 (Beilstein Handbook Reference)

NSC46137

85949-43-5

4-(2,6,6-Trimethyl-1(or 2)-cyclohexen-1-yl)-3-buten-2-one

trans-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

ss-Ionone

CAS-79-77-6

WLN: L6UTJ A1U1V1 B1 F1 F1

(E)-.beta.-Ionone

4-(2,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one

3-Buten-2-one,6,6-trimethyl-1-cyclohexen-1-yl)-

4-(2,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

4-(2,6-Trimethyl-1-cyclohexen-l-yl)-3-buten-2-one

DTXSID9025451

[E]-4-[2,6,6-trimethyl-1-cyclohexen-1-yl]-3-buten-2-one

beta ionone

beta -ionone

beta -E-ionone

Ionone, beta-

|A-Jonone

Trans-beta -ionone

(E)-beta -ionone

beta-Ionone, 96%

beta-Ionone, synthetic

BETA-IONONE [FCC]

(3E)-BETA-IONONE

.beta.-Ionone isomer # 1

.beta.-Ionone isomer # 2

SCHEMBL23953

.BETA.-IONONE [MI]

.BETA.-IONONE [FHFI]

US9144538, beta-Ionone

CHEMBL559945

beta-Ionone, analytical standard

DTXCID3027952

US9138393, ?-Ionone

FEMA 2595

BETA-CYCLOCITRYLIDENACETONE

3-BENZYLAMINO-PROPIONICACID

BDBM181139

HY-W015084A

Tox21_201454

Tox21_300709

Tox21_302862

BBL009828

NSC402758

STK801279

beta-Ionone, natural, >=85%, FG

AKOS000121023

CS-W015800

HY-W015084

beta-Ionone, purum, >=95.0% (GC)

NCGC00248145-01

NCGC00248145-02

NCGC00256534-01

NCGC00257517-01

NCGC00259005-01

AM806748

AS-68699

VS-02204

beta-Ionone, natural (US), >=85%, FG

CAS-14901-07-6

CS-0149266

NS00001727

EN300-18432

D70747

EN300-755077

F81525

beta-Ionone, predominantly trans, >=97%, FCC, FG

J-008542

W-104258

Q27114873

4-(2,6,6-Trimethyl-1-cyclohexen-l-yl)-3-buten-2-one

F0451-1336

(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)-but-3-en-2-one

(E)-4-(2,6,6-trimethylcyclohex-1-enyl)but-3-en-2-one

4-(2,6,6-trimethyl-1-cyclohexene-1-yl)-3-buten-2-one

(3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-(E)-3-Buten-2-one

(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl) but-3-en-2-one

3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)

InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7

The Henry's Law constant for beta-ionone is estimated as 8.1X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 0.054 mm Hg(1), and water solubility, 169 mg/L(1). This Henry's Law constant indicates that beta-ionone 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 10 days(SRC). beta-Ionone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Even though the vapor pressure is low environmentally at standard temperature and pressure, there is a detectable odor; therefore, beta-ionone may volatilize from dry soil(SRC).
Literature: (1) Fichan I et al; J Chem Eng Data 44: 56-62 (1999) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of beta-ionone can be estimated to be 670(SRC). According to a classification scheme(2), this estimated Koc value suggests that beta-ionone is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of July 13, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

6138-85-8

4-(2,2,6-Trimethylcyclohexyl)-2-butanone

Tetrahydroionone

4-(2,2,6-trimethylcyclohexyl)butan-2-one

2-Butanone, 4-(2,2,6-trimethylcyclohexyl)-

EINECS 228-122-1

AI3-34639

4-(2,6,6-Trimethylcyclohexyl)butan-2-one

SCHEMBL1149570

DTXSID40863696

CHEBI:211745

4-Methoxyaniline-2,5-disulfonicacid

MFCD00045490

AKOS006230098

DB-053861

4-(2,2,6-trimethylcyclohexyl)-butan-2-one

CS-0236123

NS00046063

4-(2,2,6-Trimethylcyclohexyl)-2-butanone #

EN300-1692469

4-(2,2,6-Trimethylcyclohexyl)-2-butanone, AldrichCPR

4-(2,2,6-Trimethylcyclohexyl)-2-butanone, cis + trans

DIHYDROACTINIDIOLIDE

17092-92-1

Actinidiolide, dihydro-

2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (7aR)-

(R)-DIHYDROACTINIDIOLIDE

2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (R)-

O3M4862R3R

NSC 357087

R-DIHYDROACTINIDIOLIDE

UNII-O3M4862R3R

DIHYDROACTINIDIOLIDE, (-)-

NSC-357087

(7aR)-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one

(R)-4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one

dihydroactinidolide

R-(-)Dihydro actinidiolide

D-DIHYDROACTINIDIOLIDE

SCHEMBL2186328

(-)-DIHYDROACTINIDIOLIDE

CHEMBL2271637

DTXSID801028845

DIHYDROACTINIDIOLIDE (R)-FORM

MFCD20926295

s3962

AKOS028109299

CCG-266435

SB45270

DIHYDROACTINIDIOLIDE (R)-FORM [MI]

HY-107805

CS-0030680

E77016

A811266

Q5276417

W-108036

5,6,7,7a-Tetrahydro-4,4-7a-trimethyl-2-(4H)-benzofuranone

2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl- (VAN)

4,4,7a-Trimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one, (R)-

(7aR)-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one;Dihydroactinidiolide

Dihydro-beta-ionol

3293-47-8

alpha,2,6,6-Tetramethylcyclohexene-1-propan-1-ol

FEMA No. 3627

4-(2,6,6-Trimethyl-1-cyclohexenyl)butan-2-ol

4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ol

4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanol

UNII-S3T0WG30TW

EINECS 221-957-2

S3T0WG30TW

4-(2,6,6-Trimethyl-cyclohex-1-enyl)-butan-2-ol

alpha,2,6,6-Tetramethyl-1-cyclohexene-1-propanol

1-Cyclohexene-1-propanol, alpha,2,6,6-tetramethyl-

4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanol

1-Cyclohexene-1-propanol, .alpha.,2,6,6-tetramethyl-

Dihydro-b-ionol

dihydro-I+/--ionol

Dihydro- beta -ionol

7,8-Dihydro-b-ionol

7,8-Dihydro-beta -ionol

DIHYDRO-BETA-IONOL-

DIHYDRO-.BETA.-IONOL

SCHEMBL891527

FEMA 3627

DTXSID90863146

CHEBI:183545

DIHYDRO-.BETA.-IONOL [FHFI]

NS00013229

4-(2,6,6-trimethylcyclohex-1-enyl)butan-2-ol

a,2,6,6-Tetramethyl-1-cyclohexene-1-propanol, 9CI

Q27288545

4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanol #

4-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)BUTAN-2-OL

.ALPHA.,2,6,6-TETRAMETHYLCYCLOHEXENE-1-PROPAN-1-OL

GEOSMIN

19700-21-1

(-)-geosmin

Octahydro-4alpha,8abeta-dimethyl-4aalpha(2H)-naphthol

MYW912WXJ4

CHEBI:46702

trans-1,10-dimethyl-trans-decalol

(4S-(4alpha,4aalpha,8abeta))-Octahydro-4,8a-dimethyl-4a(2H)-naphthol

(4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol

trans-1,10-Dimethyl-trans-9-decalol

(4S,4aS,8aR)-4,8a-dimethyloctahydronaphthalen-4a(2H)-ol

4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, [4S-(4.alpha.,4a.alpha.,8a.beta.)]-

(4S,4aS,8aR)-4,8a-dimethyl-decahydronaphthalen-4a-ol

4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-,(4.alpha.,4a.alpha.,8a.beta.)-

(+/-)-Geosmin

1,10-Dimethyl-9-decalol

EINECS 243-239-8

UNII-MYW912WXJ4

rac Geosmin

4,8a-Dimethyloctahydro-4a(2H)-naphthalenol #

4,8alpha-dimethyl-octahydro-naphthalen-4alpha-ol

GEOSMIN [MI]

4,8A-DIMETHYLOCTAHYDRONAPHTHALEN-4A(2H)-OL

39 - Geosmin and MIB

SCHEMBL50009

4a-.alpha.-(2H)-Naphthol, octahydro-4-.alpha.,8a-.beta.-dimethyl-

CHEMBL2374043

FEMA NO. 4682

(4S,4aS,8aR)-Octahydro-4,8a-dimethyl-4a(2H)-naphthalenol

4a-alpha-(2H)-Naphthol, octahydro-4-alpha,8a-beta-dimethyl-

DTXSID801024112

4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, (4S-(4-alpha,4a-alpha,8a-beta))-

NCGC00165950-01

(+/-)-Geosmin 10 microg/mL in Methanol

(+/-)-Geosmin 100 microg/mL in Methanol

NS00122563

Q420233

3-Buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-

3-Buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo(4.1.0)hept-1-yl)-

beta-ionone 5,6-epoxide

EINECS 245-542-0

5,6-beta-Ionone epoxide

DTXSID8051885

4-(1,2-Epoxy-2,6,6-trimethylcyclohexyl)-3-butenone-2

WLZ3135

ZTJZJYUGOJYHCU-UHFFFAOYSA-N

DB-282879

NS00013296

Q27159719

4-(2,6,6-trimethyl-1,2-epoxycyclohexyl)-3-buten-2-one

8-Methylheptadecane

Heptadecane, 8-methyl-

13287-23-5

8-methyl-heptadecane

HEPTADECANE,8-METHYL-

8-methylhep-tadecane

NSC158665

DTXSID70303510

LMFA11000600

NSC-158665

7-METHYLHEPTADECANE

20959-33-5

Heptadecane, 7-methyl-

7-methyl-heptadecane

heptadecane, 7-methyl

DTXSID50943251

LMFA11000511

DB-307398

4-Oxo-beta-ionone

29790-29-2

4-Oxo-b-ionone

(E)-2,4,4-Trimethyl-3-(3-oxo-1-butenyl)cyclohex-2-en-1-one

2,4,4-Trimethyl-3-(3-oxo-1-butenyl)cyclohex-2-en-1-one

27185-77-9

2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one

EINECS 248-307-0

3-Oxo-b-ionone

EINECS 249-851-1

3-Oxo-.beta.-ionone

3-Keto-.beta.-ionone

(E)-3-oxo-beta-ionone

SCHEMBL8390312

CHEBI:211741

2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-butenyl)-

DTXSID701017762

NS00085207

Q67879619

2,4,4-Trimethyl-3-(3-oxo-1-butenyl)-2-cyclohexen-1-one

(E)-2,4,4-Trimethyl-3-(3-oxobut-1-en-1-yl)cyclohex-2-en-1-one

2,4,4-Trimethyl-3-[(1E)-3-oxo-1-butenyl]-2-cyclohexen-1-one

2,4,4-trimethyl-3-[(E)-3-oxo-but-1-enyl]-cyclohex-2-en-1-one

2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-buten-1-yl)-

39900-12-4

1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butane-1,3-dione

EINECS 254-692-6

T78XI898CO

1-(2,6,6-trimethylcyclohexen-1-yl)butane-1,3-dione

UNII-T78XI898CO

1,3-Butanedione, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

4-oxodihydro-beta-ionone

SCHEMBL11328784

DTXSID00192954

NS00013270

Q27896786

1-(2,6,6-Trimethyl-cyclohex-1-enyl)-butane-1,3-dione

2,6,6-trimethyl-1-[1,3-dioxo-but-1-yl]-cyclohex-1-ene

1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1,3-butanedione #

1-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)BUTANE-1,3-DIONE

Dihydro-beta-ionone

17283-81-7

4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone

4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-one

7,8-Dihydro-beta-ionone

2-Butanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

FEMA No. 3626

4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanone

4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one

Dihydro-b-ionone

UNII-710YK6CESE

EINECS 241-318-1

710YK6CESE

4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butan-2-one

AI3-32482

Dihydro-.beta.-ionone

DTXSID4047200

CHEBI:18015

.alpha.,.beta.-Dihydro-.beta.-ionone

Dihydro-|A-ionone

Latia oxyluciferin

Dihydro-fA-ionone

5-Megastigmen-9-one

DIHYDRO-?-IONONE

.beta.-Ionone, dihydro-

7,8-Dehydro-beta-ionone

C03527

.beta.-7,8-Dihydroionone

4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-one

7,8-Dihydro-.beta.-ionone

SCHEMBL441670

alpha,beta-Dihydro-beta-ionone

Dihydro-beta-ionone, >=90%

CHEMBL3188345

DTXCID2027200

Tox21_302666

MFCD00456730

AKOS015903877

DIHYDRO-.BETA.-IONONE [FHFI]

FS-4346

NCGC00256712-01

CAS-17283-81-7

CS-0153466

D5751

NS00013271

D93119

4-(2,6,6-trimethyl-1-cyclohexenyl)-butan-2-one

4-(2,6,6-trimethylcyclohex-1-enyl)butan-2-one

4-(2,6,6-trimethyl-cyclohex-1-enyl)-butan-2-one

1-(1,1,5-Trimethylcyclohex-5-en-6-yl)-butan-3-one

4-(2,6,6-trimethyl-cyclohex-1 -enyl)-butan-2-one

Q27102766

4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone, 9CI

2-BUTANONE, 4-(2,6,6- TRIMETHYL-1-CYCLOHEXEN-1-YL)-

InChI=1/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H

2,6,6-trimethyl-2-hydroxycyclohexanone

2-hydroxy-2,6,6-trimethylcyclohexan-1-one

7500-42-7

2-hydroxy-2,6,6-trimethylcyclohexanone

Cyclohexanone, 2-hydroxy-2,6,6-trimethyl-

MH0UUM21K0

NSC-401666

UNII-MH0UUM21K0

NSC401666

NSC 401666

SCHEMBL1244972

FEMA NO. 4531

DTXSID60864084

CHEBI:171777

AKOS015907431

2-hydroxy-2,6,6-trimethyl-cyclohexanone

NS00121469

2,6,6-TRIMETHYL-6-HYDROXYCYCLOHEXANONE

6-HYDROXY-2,2,6-TRIMETHYLCYCLOHEXANONE

Q27284023

(+/-)-2,6,6-TRIMETHYL-2-HYDROXYCYCLOHEXANONE

2,6,6-Trimethylcyclohex-2-en-1-one

2,6,6-Trimethyl-2-cyclohexen-1-one

20013-73-4

2,6,6-trimethyl-2-cyclohexenone

2-Cyclohexen-1-one, 2,6,6-trimethyl-

077U78EJL5

EINECS 243-465-7

UNII-077U78EJL5

SCHEMBL2996151

DTXSID10173830

2,6,6- Trimethyl-2-cyclohexenon

BCP25842

AKOS040767336

2,6,6-trimethyl-cyclohex-2-en-1-one

2,2,6-TRIMETHYLCYCLOHEX-5-ENONE

DB-239557

NS00021814

Q27236270

2,6,6-Trimethyl-1-Cyclohex-2-Enone; 2-Cyclohexen-1-one, 2,6,6-trimethyl-

2,6,6-Trimethyl-2-cyclohexen-1-one; 2-Cyclohexen-1-one, 2,6,6-trimethyl-; 2,6,6-Trimethyl-2-cyclohexen-1-one; 2,2,6-Trimethylcyclohex-5-enone; 2,6,6-Trimethyl-2

HEPTADECANE

n-Heptadecane

629-78-7

Heptadekan

n-Heptadecane (d36)

H7C0J39XUM

DTXSID7047061

CHEBI:16148

MFCD00009002

NSC-172782

Hexadecane, methyl-

Heptadecane, analytical standard

EINECS 211-108-4

UNII-H7C0J39XUM

NSC 172782

BRN 1738898

AI3-36898

Heptadecane purum

Normal-heptadecane

PJ8

Heptadecane, 99%

Analytical Reagent,95.0%

4-01-00-00548 (Beilstein Handbook Reference)

CHEMBL3185332

DTXCID5027061

Samarium(III)ChlorideHexahydrate

HSDB 8347

CH3-[CH2]15-CH3

Tox21_302278

LMFA11000003

NSC172782

STL355860

AKOS000487450

MCULE-3718944215

Heptadecane, purum, >=98.0% (GC)

NCGC00256101-01

AS-56326

CAS-629-78-7

DB-054356

CS-0197341

H0023

NS00012511

C01816

D97702

Heptadecane; NSC 172782; TS 7; n-Heptadecane

Q150888

43B472DE-3A6B-4855-8457-9D679B0D1C87

InChI=1/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H

The Henry's Law constant for heptadecane is estimated as 3.1X10-2 atm-cu m/mole(SRC) derived from its vapor pressure, 2.28X10-4 mm Hg(1), and water solubility, 2.3X10-3 mg/L(2). This Henry's Law constant indicates that heptadecane is expected to volatilize 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)(4) is estimated as 1.6 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)(4) is estimated as 6.2 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is greater than 2 years if adsorption is considered(5). Heptadecane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Heptadecane is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) WakehamSG et al; Canadian J Fish Aquat Sci 40: 304-21 (1983) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 14, 2016: http://www2.epa.gov/tsca-screening-tools (5) US EPA; EXAMS II Computer Simulation (1987)

In water, 2.3X10-3 mg/L at 25 deg C
Literature: Wakeham SG ET al; Canadian J Fish Aqua Sci 40: 304-21 (1983)
Literature: #Insoluble in water
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-388
Literature: #Slightly soluble in ethanol, carbon tetrachloride; soluble in ethyl ether
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-288

The Koc of heptadecane is 2.5X10+5(1). According to a classification scheme(2), this Koc value suggests that heptadecane is expected to be immobile in soil.
Literature: (1) Wakeham SG et al; Canadian J Fish Aqua Sc 40: 304-21 (1983) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Octanal

124-13-0

Caprylaldehyde

Caprylic aldehyde

n-Octanal

1-octanal

n-Octyl aldehyde

n-Octaldehyde

n-Caprylaldehyde

Octanaldehyde

n-Octanaldehyde

Octyl aldehyde

n-Octylal

Aldehyde C-8

Octanoic aldehyde

C-8 aldehyde

Octaldehyde

OCTYLALDEHYDE

1-Octylaldehyde

1-Octaldehyde

1-Caprylaldehyde

Aldehyde C8

Antifoam-LF

Oktylaldehyd

Oktanal

Octanal, tech.

Caprylaldehyd

FEMA No. 2797

Kaprylaldehyd

Octylaldehyd

NSC 1508

ALDEHIDO C-8

MFCD00007029

CHEMBL18407

DTXSID3021643

CHEBI:17935

Albumin tannate

NSC1508

XGE9999H19

NSC-1508

NSC-8969

WLN: VH7

Octanal (natural)

DTXCID701643

Octyl aldehydes

CAS-124-13-0

HSDB 5147

EINECS 204-683-8

BRN 1744086

n-octylaldehyde

Capryl aldehyde

UNII-XGE9999H19

AI3-03961

n -octanal

octan-1-one

octan-8-one

OYA

Octanal, 99%

OCTANAL [FCC]

N-OCTANAL [FHFI]

bmse000851

EC 204-683-8

Octanal, analytical standard

OCTYLALDEHYDE [HSDB]

SCHEMBL28601

4-01-00-03337 (Beilstein Handbook Reference)

CAPRYLIC ALDEHYDE [MI]

QSPL 183

OCTANAL (ALDEHYDE C-8)

NSC8969

Octanal, >=95%, FCC, FG

HY-N8015

STR04459

Tox21_201415

Tox21_300337

BDBM50028817

LMFA06000028

AKOS009031567

MCULE-7111365457

Octanal, natural, >=95%, FCC, FG

NCGC00247997-01

NCGC00247997-02

NCGC00254427-01

NCGC00258966-01

CS-0138976

NS00009660

O0044

EN300-19768

C01545

G73533

Q416673

J-660019

Q-200605

InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H

27457-18-7

The Henry's Law constant for octylaldehyde is 5.14X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that octylaldehyde 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 hrs(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). Octylaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of octylaldehyde from dry soil surfaces may exist based upon a vapor pressure of 1.18 mm Hg(3).
Literature: (1) Buttery RG et al; J Agric Food Chem 17: 385-9 (1969) (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. Design Inst Phys Prop Data, Amer Inst Chem Eng. Hemisphere Publ Corp, NY, NY, 4 Vol (1987)

The Koc of octylaldehyde is estimated as 130(SRC), using a water solubility of 560 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that octylaldehyde is expected to have high mobility in soil.
Literature: (1) Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility. V5. College of Pharmacy, University of Arizona-Tucson, AZ. PC Version (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Decanal

Decyl aldehyde

112-31-2

Caprinaldehyde

Capraldehyde

Decanaldehyde

n-Decyl aldehyde

Capric aldehyde

1-Decanal

DECALDEHYDE

n-Decanal

n-Decaldehyde

1-Decyl aldehyde

Aldehyde C10

Decylic aldehyde

Caprinic aldehyde

C-10 aldehyde

Decanal (natural)

FEMA No. 2362

Aldehyde C-10

NSC 6087

HSDB 288

EINECS 203-957-4

UNII-31Z90Q7KQJ

BRN 1362530

31Z90Q7KQJ

DTXSID4021553

CHEBI:31457

AI3-04860

NSC-6087

DTXCID801553

NSC6087

EC 203-957-4

MFCD00007031

112-81-2

DECANAL [FHFI]

DECANAL [INCI]

DECANAL [FCC]

DECALDEHYDE [HSDB]

SCHEMBL2540

WLN: VH9

Decanal, analytical standard

N-decanal (capric aldehyde)

decanal (ACD/Name 4.0)

CHEMBL2228377

KSMVZQYAVGTKIV-UHFFFAOYSA-

Decanal, natural, >=97%, FG

Decanal, >=95%, FCC, FG

Decanal, >=98% (GC), liquid

Tox21_302656

LMFA06000052

s5376

AKOS000120018

CCG-266266

CS-W013286

HY-W012570

NCGC00256769-01

CAS-112-31-2

LS-13888

DB-041074

D0032

NS00003646

EN300-20146

F85622

A802551

Q903525

J-002749

Z104477054

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)