CALAMENENE

cis-Calamenene

483-77-2

72937-55-4

(+/-)-Cadina-1,3,5-triene

Calamenene, cis-(+/-)-

5C6W67N6XM

Naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S-cis)-

R8O22WBF8L

UNII-5C6W67N6XM

(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene

(-)-Calamenene

Naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1R,4R)-rel-

(Z)-calamenene

1-S-cis-Calamenene

Cadina-1,3,5-triene

1S-CIS-CALAMENENE

UNII-R8O22WBF8L

CALAMENENE, (-)-

(1S,4S)-4-Isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene

(1S,4S)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene

CALAMENENE, CIS-(-)-

IT SHOULD BE NOTED THAT cis-calamenene is eluted late vs trans-calamenene

DTXSID40880702

CHEBI:218611

PGTJIOWQJWHTJJ-STQMWFEESA-N

DTXSID501042907

(-)-CADINA-1,3,5-TRIENE

NS00095902

Q63398612

(1S-cis)-1,6-Dimethyl-4-(1-methylethyl)-1,2,3,4-tetrahydronaphthalene

1,2,3,4-tetrahydro-1,6-dimethyl-4(1-methylethyl)-(1s-cis)-naphthalene

Rel-(1S,4S)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene

(1S,4S)-1,2,3,4-TETRAHYDRO-1,6-DIMETHYL-4-(1-METHYLETHYL)NAPHTHALENE

naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4- (1-methylethyl)-, (1S-cis)-

NAPHTHALENE, 1,6-DIMETHYL-4-(1-METHYLETHYL)-1,2,3,4-TETRAHYDRO-, (1S-Z)-

(+)-Cuparene

Cuparene

16982-00-6

(R)-Cuparene

(R)-1-Methyl-4-(1,2,2-trimethylcyclopentyl)benzene

1-methyl-4-[(1R)-1,2,2-trimethylcyclopentyl]benzene

Cuparene, (+)-

56324-31-3

(R)-(+)-p-(1,2,2-Trimethylcyclopentyl)toluene

24IR5X2B93

Toluene, p-(1,2,2-trimethylcyclopentyl)-, (R)-(+)-

Benzene, 1-methyl-4-(1,2,2-trimethylcyclopentyl)-, (R)-

UNII-24IR5X2B93

EINECS 241-061-5

1-Methyl-4-(1,2,2-trimethylcyclopentyl)benzene #

(R)-1-(p-Tolyl)-1,2,2-trimethylcyclopentane

DTXSID70168762

CHEBI:167407

MFCD00043118

AKOS015914036

LMPR0103140001

SB46933

TS-10159

NS00021037

J-010581

(+)-Cuparene, >=99.0% (sum of enantiomers, GC)

Q27253858

Benzene, 1-methyl-4-(1,2,2-trimethylcyclopentyl)-, (theta)-

BENZENE, 1-METHYL-4-(1,2,2-TRIMETHYLCYCLOPENTYL)-, (.THETA.)-

2-PENTYLFURAN

3777-69-3

2-Amylfuran

2-n-Pentylfuran

Furan, 2-pentyl-

Furan, pentyl-

PENTYLFURAN

FEMA No. 3317

6I0QAJ1JZQ

DTXSID9047679

CHEBI:89197

64079-01-2

2-Pentylfuran (natural)

2-(N-Pentyl)furan

EINECS 223-234-7

UNII-6I0QAJ1JZQ

BRN 0107854

2-pentylfurane

CCRIS 8807

2-pentyl-furan

2-Pentylfuran; 2-Amylfuran; 2-n-Pentylfuran; Dihydro-5-pentyl-2(hydro)-furan

Furane, 2-pentyl

MFCD00036497

AMYLFURAN

5-17-01-00390 (Beilstein Handbook Reference)

2-Amylfuran; 2-Pentyl furan

2-PENTYLFURAN [FHFI]

Amyl furan (2-Pentyl furan)

SCHEMBL221257

CHEMBL3182720

DTXCID7027679

2-Pentylfuran, >=98%, FG

FEMA 3317

2-Pentylfuran, analytical standard

HY-N7398

Tox21_303542

s9334

AKOS015913798

SB61015

NCGC00257337-01

BS-22948

PD144438

CAS-3777-69-3

DB-003325

CS-0119428

NS00011970

P1209

2-Pentylfuran 100 microg/mL in Acetonitrile

2-Pentylfuran, natural (US), >=97%, FG

H11330

EN300-7399562

A823863

W-106514

Q27161382

Z1255423587

octane

n-octane

111-65-9

Oktan

Oktanen

Ottani

n-Oktan

Oktanen [Dutch]

Oktan [Polish]

Ottani [Italian]

HSDB 108

UNII-X1RV0B2FJV

X1RV0B2FJV

NSC 9822

EINECS 203-892-1

DTXSID0026882

CHEBI:17590

AI3-28789

NSC-9822

MFCD00009556

DTXCID406882

CH3-[CH2]6-CH3

EC 203-892-1

Heptane, methyl-

Octane, all isomers

CH3-(CH2)6-CH3

octano

Normal octane

normal-Octane

octan

Octanes

Octil

MG8

OTTANE

OCTANE [INCI]

N-OCTANE [HSDB]

OCTANE [MI]

bmse000480

Octane, analytical standard

WLN: 8H

Octane, anhydrous, >=99%

Octane, reagent grade, 98%

n-C8H18

Octane, p.a., 99.0%

CHEMBL134886

NSC9822

Octane; NSC 9822; n-Octane

Tox21_202452

c0044

LMFA11000002

AKOS015904009

MCULE-3248084959

NCGC00249228-01

NCGC00260001-01

CAS-111-65-9

LS-13532

NS00006444

O0022

O0118

O0151

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

C01387

Q150681

J-002613

F0001-0244

EEE64B73-0375-4303-AFD5-0795361807FF

InChI=1/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H

Octane, electronic grade, >=99.999% metals basis, >=99% (CP)

31372-91-5

9065-92-3

The Henry's Law constant for n-octane is estimated as 3.2 atm-cu m/mole(SRC) derived from its vapor pressure, 14.1 mm Hg(1), and water solubility, 0.66 mg/L(2). This Henry's Law constant indicates that n-octane 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 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)(3) is estimated as 4.2 days(SRC). Volatilization from water surfaces may be attenuated by adsorption to suspended solids and sediment in the water column(SRC). The estimated volatilization half-life from a model pond is 11 months if adsorption is considered(4). However, in a study using a jet fuel mixture and sterile freshwater controls from the Escambia River (Florida), a 99% loss of n-octane was attributed to evaporation at 25 deg C(5). n-Octane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The disappearance of n-octane was rapid in soil/water mixture (concentration of soil, 25 g/150 mL)(6); an initial concentration of 0.177 ug/mL n-octane disappeared completely in 5 days using a sterile sandy loam soil with an organic matter content of 5.1%(6). The potential for volatilization of n-octane from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Yaws CL; Handbook of Vapor Pressure. Houston, TX: Gulf Pub Co. 3: 78 (1994) (2) Yalkowsky SH, He Y, eds; Handbook of aqueous solubility data. Boca Raton, FL: CRC Press p. 536 (2003) (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; EXAMS II Computer Simulation (1987) (5) 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) (6) Dean-Ross D; Bull Environ Contam Toxicol 51: 596-99 (1993)

The Koc of n-octane is estimated as 3.1X10+4(SRC), using a log Kow of 5.18(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that n-octane is expected to be immobile in soil. Freundlich absorption coefficients of log 4.04 and log 3.49 were measured in Oberlausitz lignite (11.1% moisture content; 53.5 wt% carbon content; 0.6 wt % nitrogen content) and Pahokee peat soil (10.2% moisture content; 46.1 wt% carbon content; 3.3 wt % nitrogen content), respectively(4). Gaseous transport of volatile n-octane in unsaturated porous media was shown to be influenced by air-water interfacial adsorption and water-partitioning(5). Sorption of n-octane from air to snow was measured, resulting in a sorption coefficient of log -4.41 cu m/sq m at -6.8 deg C(6).
Literature: (1) Miller MM et al; Environ Sci Technol 19:522-9 (1985) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Oct 30, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Endo S et al; Environ Sci Technol 42): 5897-5903 (2008) (5) Kim H et al; Environ Sci Technol 35: 4457-62 (2001) (6) Roth CM et al; Environ Sci Technol 38: 4078-84 (2004)

Cedrelanol

T-Cadinol

tau-Cadinol

5937-11-1

T Cadinol

epi-alpha-Cadinol

10-Epi-alpha-Cadinol

(1S,4S,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol

10beta-cadin-4-en-10-ol

epi-Cadinol

10-Epicadinol

SCHEMBL3679160

CHEMBL2228955

CHEBI:138042

1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S-(1alpha,4alpha,4aalpha,8abeta))-

10betaH-Cadin-4-en-10-ol (8CI)

C21695

Q67865683

(1S,4S,4aR,8aR)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4,4a,7,8,8a-octahydronaphthalen-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

Nerolidol (natural)

Peruviol

Stirrup

(Z)-Nerolidol

(+)-Nerolidol

1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-

DTXSID3022247

UNII-89V5Z0JC8J

UNII-QR6IP857S6

trans nerolidol

Methylvinylhomogeranyl carbinol

FEMA No. 2772

CCRIS 7678

(E)-nerolidol

EINECS 205-540-2

EINECS 230-597-5

NSC 60598

EPA Pesticide Chemical Code 128910

NSC 406963

BRN 1724135

AI3-10519

EC 230-597-5

3-01-00-02042 (Beilstein Handbook Reference)

CHEBI:7524

DTXCID602247

QR6IP857S6

FEMA 2772

Humbertiol?

(+/-)-Nerolidol

Spectrum_001222

SpecPlus_000303

Spectrum2_001507

Spectrum3_001539

Spectrum4_001720

KBioGR_002080

KBioSS_001702

DivK1c_006399

SPBio_001553

FCI-119B

CHEMBL3182436

NEROLIDOL, (+/-)-

KBio1_001343

KBio2_001702

KBio2_004270

KBio2_006838

KBio3_002458

MCULE-1929267041

( inverted exclamation markA)-Nerolidol

NCGC00344526-01

DB-070076

NS00075673

3-Hydroxy-3,7,11-trimethyl-1,6,10-dodectriene

Nerolidol (Mixture of cis and trans, Stablized with a-tocopherol)

1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-; Nerolidol (6CI); 3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol; (+/-)-Nerolidol; FCI 119b; Nerodilol

Methyl 2-furoate

611-13-2

Methyl furan-2-carboxylate

Methyl pyromucate

Methyl 2-furancarboxylate

METHYL FUROATE

2-Furancarboxylic acid, methyl ester

METHYL-2-FUROATE

2-(Methoxycarbonyl)furan

2-FUROIC ACID, METHYL ESTER

Pyromucic acid methyl ester

Methyl 2-furylcarboxylate

2-Furancarboxylic Acid Methyl Ester

Furoic acid, methyl ester

FEMA No. 2703

Furancarboxylic acid, methyl ester

2-Furoic acid methyl ester

NSC 35551

MFCD00003236

O9A8D29YDE

furan-2-carboxylic acid methyl ester

NSC-35551

methyl2-furoate,

CCRIS 2158

EINECS 210-254-6

UNII-O9A8D29YDE

BRN 0111110

AI3-23585

2-methyl furate

Methyl alpha-furoate

Methyl 2-furoate ,

METHYL2-FUROATE

Methyl .alpha.-furoate

Furoic acid methyl ester

Methylfuran-2-carboxylate

methyl uran-2-carboxylate

Methyl 2-furoate, 98%

WLN: T5OJ BVO1

METHYL FUROATE [FCC]

5-18-06-00103 (Beilstein Handbook Reference)

METHYL FUROATE [FHFI]

SCHEMBL363937

METHYL 2-FUROATE [MI]

DTXSID7060598

FEMA 2703

CHEBI:167081

Methyl 2-furoate, >=98%, FG

HY-Y0949

NSC35551

2-furan carboxylic acid methyl ester

s5636

STK397389

AKOS000120062

CCG-266097

CS-W020101

MCULE-5445948487

Methyl 2-furoate, natural, 99%, FG

Furan-alpha-carboxylic acid methyl ester

AS-14803

Furan-.alpha.-carboxylic acid methyl ester

DB-003714

AM20100488

F0075

NS00012896

EN300-15493

D78223

Q-100703

Q22083556

Z19719727

F0001-1604

4-Chlorobenzotrifluoride

98-56-6

p-Chlorobenzotrifluoride

1-CHLORO-4-(TRIFLUOROMETHYL)BENZENE

Benzene, 1-chloro-4-(trifluoromethyl)-

para-Chlorobenzotrifluoride

(p-Chlorophenyl)trifluoromethane

p-Chlorotrifluoromethylbenzene

1-(Trifluoromethyl)-4-chlorobenzene

p-Trifluoromethylphenyl chloride

4-Chloro-alpha,alpha,alpha-trifluorotoluene

p-(Trifluoromethyl)chlorobenzene

p-Chloro-a,a,a-trifluorotoluene

p-Chloro-alpha,alpha,alpha-trifluorotoluene

PARACHLOROBENZOTRIFLUORIDE

4-chloro-benzotrifluoride

NSC 10309

MFCD00000627

1219804-33-7

PCBTF

P-(TRIFLUOROMETHYL) CHLOROBENZENE

694YO34JHC

DTXSID7024821

NSC-10309

4-CHLORO-A,A,A-TRIFLUOROTOLUENE-D4

4-Chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene

DTXCID004821

Toluene, p-chloro-.alpha.,.alpha.,.alpha.-trifluoro-

4-Chloro-a,a,a-trifluorotoluene

CAS-98-56-6

4-trifluoromethylchlorobenzene

CCRIS 720

para-Chlorotrifluoromethylbenzene

HSDB 4251

EINECS 202-681-1

BRN 0510203

UNII-694YO34JHC

alpha,alpha,alpha-Trifluoro-4-chlorotoluene

(4-chlorophenyl)trifluoromethane

para-Chloro-alpha,alpha,alpha-trifluorotoluene

Toluene, p-chloro-alpha,alpha,alpha-trifluoro-

4-(TRIFLUOROMETHYL)CHLOROBENZENE

4-Chlorobenzotrifuoride

4-chlorobenzo-trifluoride

EC 202-681-1

SCHEMBL196588

4-chloro trifluoromethylbenzene

4-trifluoromethyl chlorobenzene

4-Chlorobenzotrifluoride, 98%

CHEMBL1797001

1-chloro-4-trifluoromethylbenzene

1-trifluoromethyl-4-chlorobenzene

chloro-4-(trifluoromethyl)benzene

CHLOROBENZOTRIFLUORIDE, P-

BCP24446

NSC10309

Tox21_201445

Tox21_303261

P-CHLOROBENZOTRIFLUORIDE [MI]

STL268887

AKOS005067495

AM87507

NCGC00091724-01

NCGC00091724-02

NCGC00091724-03

NCGC00257114-01

NCGC00258996-01

AC-10097

4-Chloro-.alpha.,.alpha.-trifluorotoluene

p-Chloro-.alpha.,.alpha.-trifluorotoluene

NS00002149

EN300-20053

G77196

p-Chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene

Q410670

1-CHLORO-4-(TRIFLUOROMETHYL)BENZENE [HSDB]

W-100075

CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE, 4-

(p-Chlorophenyl)trifluoromethane;4-Chlorobenzyltrifluoride;

N-(2,4-dimethylphenyl)-3-hydroxy-naphthalene-2-carboxamide

InChI=1/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4

1-Chloro-4-(trifluoromethyl)benzene, 4-Chloro-alpha,alpha,alpha-trifluorotoluene

1-chloro-4-(trifluoromethyl)benzene; 4-Chloro-alpha,alpha,alpha-trifluorotoluene; (p-Chlorophenyl)trifluoromethane; p-Chlorotrifluoromethylbenzene; p-(Trifluoro

The Henry's Law constant for 1-chloro-4-(trifluoromethyl)benzene is estimated as 3.5X10-2 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1-chloro-4-(trifluoromethyl)benzene 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 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)(2) is estimated as 5 days(SRC). 1-Chloro-4-(trifluoromethyl)benzene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Chloro-4-(trifluoromethyl)benzene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 7.63 mm Hg(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (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 Vol. 3 New York, NY: Hemisphere Pub Corp (1989)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 1-chloro-4-(trifluoromethyl)benzene can be estimated to be 1600(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-chloro-4-(trifluoromethyl)benzene is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.0. Jan, 2009. Available from, as of Sept 20, 2010: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

alpha-Curcumene

Curcumene

644-30-4

1-methyl-4-(6-methylhept-5-en-2-yl)benzene

2-Methyl-6-p-tolyl-2-heptene

1-(1,5-Dimethyl-4-hexenyl)-4-methylbenzene

aryl-curcumene

alpha-Cucurmene

Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-

2-Heptene, 2-methyl-6-p-tolyl-

aromatic curcumene

.alpha.-Curcumene

S24T013WOF

|A-curcumene

UNII-S24T013WOF

??-curcumene

Curcumene

CHEMBL4210821

CHEBI:62757

DTXSID90862351

HY-N9691

(+/-)-.ALPHA.-CURCUMENE

AKOS040763717

1ST15463

CS-0202834

NS00126041

1-(1,5-Dimethyl-4-hexenyl)-4-methylbenzene #

1-(1,5-dimethyl-hex-4-enyl)-4-methyl-benzene

Q27132148

Cadina-1,4-diene

Cadina-1,4-diene, cis

Cadina-1(2),4-diene

JUQGWBAOQUBVFP-OPFPJEHXSA-N

(1S,4S,4aR)-4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7-hexahydronaphthalene

4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7-hexahydronaphthalene-, [1S-(1.alpha.,4.alpha.,4a.alpha.)]-

Naphthalene, 1,2,3,4,4a,7-hexahydro-1,6-dimethyl-4-(1-methylethyl)-, [1S-(1.alpha.,4.alpha.,4a.alpha.)]-

1-Pentanol

Pentan-1-ol

71-41-0

Amyl alcohol

Pentanol

N-Amyl alcohol

n-Pentanol

Pentyl alcohol

Butylcarbinol

1-Pentyl alcohol

Amylol

n-Butylcarbinol

N-PENTYL ALCOHOL

Pentanol-1

Pentasol

Alcool amylique

Butyl carbinol

n-Amylalkohol

n-Pentan-1-ol

Primary amyl alcohol

Amylalkohol

Amyl alcohol, normal

Pentanol (VAN)

Petan-1-ol

30899-19-5

n-Amylalkohol [Czech]

Amyl alcohol (natural)

Alcool amylique [French]

FEMA No. 2056

Pentylalkohol

pentyl-alcohol

amyl-alcohol

n-pentyl-alcohol

NSC 5707

UN1105

Amyl alcohol, n-

Primary-N-amyl alcohol

MFCD00002977

n-C5H11OH

Pentanols [UN1105] [Flammable liquid]

DTXSID6021741

CHEBI:44884

M9L931X26Y

NSC-5707

N-amylalkohol (czech)

Alcool amylique (french)

n-butyl carbinol

Pentanols

FEMA Number 2056

HSDB 111

EINECS 200-752-1

amylalcohol

BRN 1730975

pentylalcohol

Pentalcohol

n-pentylalcohol

Valeric alcohol

l-pentanol

UNII-M9L931X26Y

AI3-01293

1-amyl alcohol

C5 alcohol

Amyl alcohol normal

Amyl alcohol,primary

148587-12-6

1-PENTANOL [MI]

EC 200-752-1

AMYL ALCOHOL [FHFI]

WLN: Q5

4-01-00-01640 (Beilstein Handbook Reference)

MLS002415674

CHEMBL14568

1-PENTANOL [USP-RS]

1-AMYL ALCOHOL [FCC]

Amyl alcohol, >=99%, FG

DTXCID101741

1-Pentanol, analytical standard

N-PENTYL ALCOHOL [HSDB]

BDBM22603

NSC5707

1-Pentanol, p.a., 98.0%

HMS3039G16

high-purity pound not>99.5%(GC)

Tox21_201107

1-Pentanol, ACS reagent, >=99%

LMFA05000112

STL282712

AKOS009031407

MCULE-8714292632

1-Pentanol, ReagentPlus(R), >=99%

CAS-71-41-0

NCGC00091726-01

NCGC00091726-02

NCGC00258659-01

PE9

SMR001370872

1-Pentanol, SAJ first grade, >=97.0%

1-Pentanol, SAJ special grade, >=99.0%

NS00002210

P0055

EN300-19332

Pentan-1-ol; 1-Pentanol; Pentanol; n-Pentanol

Q151733

F0001-1831

1-Pentanol, puriss. p.a., ACS reagent, >=99.0% (GC)

InChI=1/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H

1-Pentanol, United States Pharmacopeia (USP) Reference Standard

1-Pentanol, Pharmaceutical Secondary Standard; Certified Reference Material

The Henry's Law constant for n-pentyl alcohol is 1.3X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that n-pentyl alcohol 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 43 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 23 days(SRC) The potential for volatilization of n-pentyl alcohol from dry soil surfaces may exist(SRC) based upon a vapor pressure of 2.2 mm Hg(3).
Literature: (1) Butler JAV et al. J Chem Soc 280-285 (1935) (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 Vol 2 4th ed. NY, NY: John Wiley & Sons, p. 205-7 (1986)

The Koc of n-pentyl alcohol is estimated as 160(SRC), using a log Kow of 1.51(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that n-pentyl alcohol is expected to have moderate mobility in soil.
Literature: (1) Sangster J; LOGKOW Databank. A databank of evaluated octanol-water partition coefficients (Log P) on microcomputer diskette. Montreal, Quebec, Canada: Sangster Research Laboratories (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods NY, NY: McGraw-Hill pp. 4-9 (1982) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

1-Hexanol

Hexan-1-ol

Hexyl alcohol

111-27-3

HEXANOL

n-Hexanol

n-Hexyl alcohol

Amylcarbinol

1-Hydroxyhexane

1-Hexyl alcohol

Caproyl alcohol

Pentylcarbinol

Caproic alcohol

n-Hexan-1-ol

C6 alcohol

Alcohol(C6)

Hexanol (VAN)

EPAL 6

Hexyl alcohol (natural)

1-Hexanol-13C6

FEMA No. 2567

NSC 9254

25917-35-5

MFCD00002982

Hexanol-(1)

n-Hexyl--d5 Alcohol

6CP2QER8GS

DTXSID8021931

CHEBI:87393

NSC-9254

286013-16-9

Alcohol C-6

DTXCID201931

Caswell No. 482E

Hydroxyhexane

Hexanols

FEMA Number 2567

BHL

CAS-111-27-3

HE2

HSDB 565

EINECS 203-852-3

UNII-6CP2QER8GS

EPA Pesticide Chemical Code 079047

BRN 0969167

Caproalcohol

Hexalcohol

HEXYL ALCOHOL, ACTIVE

n-hexylalcohol

AI3-08157

N-hexenol

Exxal 6

EINECS 247-346-0

HEXANOL-CMPD

Exxal 6 (Salt/Mix)

BDBM9

1-Hexanol, 98%

Hexyl alcohol, FCC, FG

1-HEXANOL [HSDB]

1-HEXANOL [MI]

EC 203-852-3

n-C6H13OH

SCHEMBL1877

HEXYL ALCOHOL [FCC]

C6H13OH

HEXYL ALCOHOL [FHFI]

HEXYL ALCOHOL [INCI]

WLN: Q6

4-01-00-01694 (Beilstein Handbook Reference)

MLS001055374

UN 2282 (Salt/Mix)

BIDD:ER0298

CHEMBL14085

1-Hexanol, analytical standard

1-Hexanol, anhydrous, >=99%

NSC9254

1-Hexanol, reagent grade, 98%

DTXSID001022586

HMS3039L08

BCP29486

Tox21_201335

Tox21_302953

LMFA05000117

STL282713

UN2282

AKOS009031422

HY-W032022

MCULE-4299150163

1-Hexanol, purum, >=98.0% (GC)

1-Hexyl alcohol pound>>1-Hexylalcohol

NCGC00090949-01

NCGC00090949-02

NCGC00256385-01

NCGC00258887-01

Hexanols [UN2282] [Flammable liquid]

LS-13216

PD158361

SMR000677945

1-Hexanol, SAJ special grade, >=99.0%

1-Hexanol, Vetec(TM) reagent grade, 98%

CS-0076046

H0130

Hexyl alcohol, natural, >=98%, FCC, FG

NS00009706

EN300-19338

Q76933

1-Hexanol, ReagentPlus(R), >=99.5% (GC)

J-002549

F0001-0237

Z104473568

InChI=1/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H

The Henry's Law constant for 1-hexanol is 1.71X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that 1-hexanol 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 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 20 days(SRC). 1-Hexanol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Hexanol is expected to volatilize slowly from dry soil surfaces(SRC) based upon a vapor pressure of 0.928 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. NY: Hemisphere Pub Corp (1989)

A Koc of 10.2 was determined for 1-hexanol on a Hagerstown silt loam soil(1). According to a suggested classification scheme(2), this Koc value suggests that 1-hexanol is expected to have very high mobility in soil.
Literature: (1) Gerstl Z, Helling CS; J Environ Sci Health 22: 55-69 (1987) (2) Swann RL et al; Res Rev 85: 17-28 (1983)