Benzopyrrole

benzazole

SIKJAQJRHWYJAI-UHFFFAOYSA-N

indole

indolyl

Ketole

Indol

IND

Indole, analytical standard

1-Azaindene

1-Benzazole

Benzo[b]pyrrole

1H-Indole

SCHEMBL698

AC1L1A1Q

AC1Q4W0V

185l

2,3-Benzopyrrole

I908

Indole (natural)

KSC175K9T

1-H-indole

1H-Benzo[b]pyrrole

2,3-Benzopyrole

CHEMBL15844

Indol [German]

INDOLE BENZO-PYRROLE

Indole, 7

NSC1964

1-Benzo(b)pyrrole

CTK0H5599

HMDB00738

HSDB 599

I0021

Indole (white flake)

Indole, >=99%

BIDD:GT0304

DB04532

Indole, 98%

RP19282

SCHEMBL940818

STR01201

8724FJW4M5

bmse000097

C00463

CCRIS 4421

DSSTox_CID_737

Indole (8CI)

2,3-Benzopyrrole, ketole

AK105886

BBL011739

CG-0501

DTXSID0020737

HE009164

HE115567

HE299716

HE301357

LS-2832

NSC 1964

NSC-1964

SBB055980

SCHEMBL1921769

SCHEMBL9559244

STL163380

1H-indol-1-yl

ACMC-209a84

CHEBI:16881

I-0800

I-0810

UNII-8724FJW4M5

W-1785

AB1009465

AJ-64954

AN-22831

ANW-17522

BP-10563

Caswell No. 498B

CJ-14563

DSSTox_GSID_20737

KB-12260

LS-82069

SC-19025

ST2408915

TRA0047977

WLN: T56 BMJ

BB_NC-2223

BDBM50094702

DSSTox_RID_75761

MFCD00005607

ZINC14516984

AI3-01540

CS-W001132

Indole, >=99%, FG

RTR-003417

ST51046571

TR-003417

1H-Indole (9CI)

AKOS000119629

EPA Pesticide Chemical Code 025000

I14-3233

Z57833933

FEMA No. 2593

FT-0627211

FT-0627227

Tox21_112536

Tox21_201677

Tox21_302937

120-72-9

F2190-0647

Indole, 99% 50g

1H-Benzo[b]pyrrole; 2,3-Benzopyrrole

MCULE-9442796928

NCGC00167539-01

NCGC00167539-02

NCGC00167539-03

NCGC00256348-01

NCGC00259226-01

CAS-120-72-9

EINECS 204-420-7

SR-01000944736

Tox21_112536_1

5189-EP2269978A2

5189-EP2269985A2

5189-EP2269991A2

5189-EP2270006A1

5189-EP2270010A1

5189-EP2270011A1

5189-EP2270505A1

5189-EP2272491A1

5189-EP2272509A1

5189-EP2272517A1

5189-EP2272813A2

5189-EP2272832A1

5189-EP2272972A1

5189-EP2272973A1

5189-EP2275105A1

5189-EP2275395A2

5189-EP2275401A1

5189-EP2275412A1

5189-EP2275420A1

5189-EP2277858A1

5189-EP2277862A2

5189-EP2277872A1

5189-EP2277874A1

5189-EP2279183A1

5189-EP2279184A1

5189-EP2280000A1

5189-EP2280008A2

5189-EP2280012A2

5189-EP2281563A1

5189-EP2281815A1

5189-EP2281818A1

5189-EP2281824A1

5189-EP2284150A2

5189-EP2284151A2

5189-EP2284152A2

5189-EP2284153A2

5189-EP2284155A2

5189-EP2284156A2

5189-EP2284157A1

5189-EP2284158A1

5189-EP2284164A2

5189-EP2284920A1

5189-EP2287140A2

5189-EP2287148A2

5189-EP2287150A2

5189-EP2287155A1

5189-EP2287165A2

5189-EP2287166A2

5189-EP2289510A1

5189-EP2289871A1

5189-EP2289890A1

5189-EP2292586A2

5189-EP2292590A2

5189-EP2292592A1

5189-EP2292593A2

5189-EP2292604A2

5189-EP2292606A1

5189-EP2292611A1

5189-EP2292620A2

5189-EP2292630A1

5189-EP2295409A1

5189-EP2295419A2

5189-EP2295429A1

5189-EP2295432A1

5189-EP2295433A2

5189-EP2295503A1

5189-EP2298732A1

5189-EP2298737A1

5189-EP2298738A1

5189-EP2298740A1

5189-EP2298755A1

5189-EP2298764A1

5189-EP2298765A1

5189-EP2298766A1

5189-EP2298767A1

5189-EP2298770A1

5189-EP2298774A1

5189-EP2301536A1

5189-EP2301538A1

5189-EP2301912A2

5189-EP2301913A1

5189-EP2301914A1

5189-EP2301916A2

5189-EP2301918A1

5189-EP2301921A1

5189-EP2301923A1

5189-EP2301926A1

5189-EP2301931A1

5189-EP2301933A1

5189-EP2301937A1

5189-EP2305219A1

5189-EP2305250A1

5189-EP2305637A2

5189-EP2305640A2

5189-EP2305643A1

5189-EP2305644A1

5189-EP2305648A1

5189-EP2305651A1

5189-EP2305653A1

5189-EP2305657A2

5189-EP2305658A1

5189-EP2305695A2

5189-EP2305696A2

5189-EP2305697A2

5189-EP2305698A2

5189-EP2305808A1

5189-EP2308510A1

5189-EP2308562A2

5189-EP2308832A1

5189-EP2308839A1

5189-EP2308840A1

5189-EP2308848A1

5189-EP2308849A1

5189-EP2308850A1

5189-EP2308854A1

5189-EP2308863A1

5189-EP2308867A2

5189-EP2308870A2

5189-EP2308871A1

5189-EP2311455A1

5189-EP2311796A1

5189-EP2311797A1

5189-EP2311798A1

5189-EP2311799A1

5189-EP2311808A1

5189-EP2311825A1

5189-EP2311827A1

5189-EP2311829A1

5189-EP2311830A1

5189-EP2311831A1

5189-EP2311842A2

5189-EP2314575A1

5189-EP2314576A1

5189-EP2314587A1

5189-EP2314588A1

5189-EP2315303A1

5189-EP2316452A1

5189-EP2316459A1

5189-EP2316470A2

5189-EP2316824A1

5189-EP2316832A1

5189-EP2316833A1

5189-EP2316836A1

5189-EP2316974A1

5189-EP2371811A2

5189-EP2371831A1

5189-EP2372017A1

5189-EP2372804A1

5189-EP2374454A1

5189-EP2378585A1

MolPort-001-738-532

46560-EP2275412A1

46560-EP2287158A1

46560-EP2287159A1

46560-EP2308871A1

46560-EP2311826A2

56185-EP2289892A1

56185-EP2298738A1

56185-EP2308871A1

Indole, 9CI, 8CI; N-(4-Methylbenzenesulfonyl)

SR-01000944736-1

Indole, puriss., >=98.5% (GC)

InChI=1/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9

The Henry's Law constant for indole is estimated as 5.3X10-7 atm-cu m/mole(SRC) from its experimental values for vapor pressure, 0.0122 mm Hg(1), and water solubility, 3560 mg/l(2). This value indicates that indole will be essentially nonvolatile from water surfaces(3,SRC). Indole's Henry's Law constant(1,2,SRC) indicates that volatilization from moist soil surfaces should not occur(SRC).
Literature: (1) Yaws CL; Handbook of Vapor Pressure. Volume 3. C8 to C28 Compounds. HOuston,TX: Gulf Publ Co (1994) (2) Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility. Ver 5. College of Pharmacy, University of Arizona - Tucson, AZ. PC Ver (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

A Koc of 187 was measured for indole on a synthetic soil consisting of 88-90% sand, 10% clay and 0-2% humic acid(1). The Koc of indole is estimated as approximately 350(SRC), using a measured log Kow of 2.14(2) and a regression-derived equation(3,SRC). According to a recommended classification scheme(4), these Koc values suggest that indole has moderate mobility in soil(SRC).
Literature: (1) Rebhun M et al; Water Res 26: 79-84 (1992) (2) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Amer Chem Soc, Washington, DC. p. 6 (1995) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (4) Swann RL et al; Res Rev 85: 23 (1983)

Isobutylcarbinol

isopentylalcohol

Isopentylalkohol

ISOAMYLALCOHOL

Isopentanol

Alcool isoamylique

Fuseloel

Isoamylol

Isobutyl carbinol

Isopentyl alcohol

PHTQWCKDNZKARW-UHFFFAOYSA-N

Amylowy alkohol

Fermentation amyl alcohol

Iso-amylalkohol

Isoamyl alcohol

Isoamyl alkohol

isoamyl-alcohol

Alcool amilico

Primary isoamyl alcohol

3-methylbutanoI

3-Methylbutanol

Fusel Oil

AC1Q7CHF

Iso-amyl alcohol

potato-spirit oil

ACMC-1ADLL

Huile de fusel

i-Amyl Alcohol

Isoamyl alcohol, primary

3-Methylbutanol, analytical standard

DEM9NIT1J4

3-methyl butanol

3-methyl-Butanol

3-Metil-butanolo

AC1L1L9D

AC1Q1PG0

ISOAMYL ALCOHOL, ACS

Alcool isoamylique [French]

isopentan-1-ol

UNII-DEM9NIT1J4

Alcool amilico [Italian]

Amylowy alkohol [Polish]

Iso-amylalkohol [German]

Isoamyl alcohol (natural)

KSC175S7D

1-Hydroxy-3-Methylbutane

7340AF

Isoamyl alkohol [Czech]

NATURAL ISOAMYL ALCOHOL - TECHNICAL GRADE

NSC1029

NSC7905

CTK0H5971

HMDB06007

HSDB 605

I0289

Isoamyl alcohol (primary and secondary)

NATURAL ISOAMYL ALCOHOL P & F

QSPL 002

3-methylbutane-1-ol

CHEMBL372396

DB02296

Isopentyl alcohol (8CI)

2-Methyl-4-butanol

3-methyl 1-butanol

3-Methyl-1-butanol

3-Methylbutan-1-ol

C07328

CCRIS 8806

ZINC896830

DTXSID3025469

FEMA Number 2057

Jsp001579

LP092178

LS-2837

NSC 1029

NSC-1029

NSC-7905

OR034211

OR210114

STL282718

UNII-2NK7O363Q6 component PHTQWCKDNZKARW-UHFFFAOYSA-N

ZB015111

3-Metil-butanolo [Italian]

Butanol, 3-methyl-

CHEBI:15837

DSSTox_CID_5469

3-Methyl-1-butanol, analytical standard

AN-22920

ANW-18132

DSSTox_GSID_25469

Isoamyl alcohol (3-methyl butanol)

KB-70935

3-Methyl-Butan-1-Ol

DSSTox_RID_77799

LMFA05000108

Magnesium bis(3-methylbutan-1-olate)

Methyl-3-butan-1-ol

MFCD00002934

ZINC00896830

AI3-15288

Isoamyl alcohol, >=98%, FG

RTR-003692

TR-003692

3-METHYL-1-BUTANOL, REAG

AKOS000118739

FEMA No. 2057

FT-0616032

TRA-0206228

1-Butanol, 3-methyl-

3-Methyl-1-butanol, mixture of isomers

Butan-1-ol, 3-methyl

I14-14690

Z955123582

Isoamyl alcohol, natural, >=98%, FG

Tox21_302359

WLN: Q2Y1 & 1

123-51-3

F0001-0367

3-Methyl-1-butanol, 98%

3-METHYL-BUTAN-(1)-OL

6423-06-9

MCULE-7411270401

NCGC00255329-01

CAS-123-51-3

EINECS 204-633-5

EINECS 229-179-5

3-Methyl-1-butanol, anhydrous, >=99%

3-Methyl-1-butanol, United States Pharmacopeia (USP) Reference Standard

3-Methyl-1-butanol, technical grade, 95%

3-Methylbutanol, BioReagent, for molecular biology, >=98.5%

1973-EP2281899A2

1973-EP2316937A1

3-Methyl-1-butanol, LR, >=98%

3-Methyl-1-butanol, reagent grade, 98%

MolPort-001-793-103

123-51-3 (Parent)

74374-EP2269986A1

74374-EP2308857A1

74374-EP2380568A1

3-Methyl-1-butanol, biotech. grade, >=99%

3-Methyl-1-butanol, ReagentPlus(R), >=99%

117932-EP2287147A2

117932-EP2298768A1

6423-06-9 (magnesium salt)

3-Methyl-1-butanol, ACS reagent, >=98.5%

3-Methyl-1-butanol, JIS special grade, >=98.0%

3-Methyl-1-butanol, SAJ first grade, >=96.0%

3-Methylbutanol, BioUltra, for molecular biology, >=99.0% (GC)

3-Methyl-1-butanol, p.a., 99.8%

3-Methyl-1-butanol, ACS, 98.5% min. 500ml

3-Methylbutanol, puriss. p.a., ACS reagent, >=98.5% (GC)

3-Methylbutanol, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 98.5%

InChI=1/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H

The Henry's Law constant for isopentanol is 1.41X10-5 atm-cu m/mol(1). Using this value for the Henry's Law constant, one can estimate that the volatilization half-life of isopentanol in a model river 1 m deep flowing at 1 m/s with a wind speed of 3 m/s is 2.55 days(2). Similarly, the half-life of isopentanol in a model lake 1 m deep with a 0.05 m/s current and a 0.5 m/s wind is 21 days(2). In view of isopentanol's relatively high vapor pressure, 2.37 mm Hg at 25 deg C(3) and moderate Henry's Law constant and low adsorptivity to soil, isopentanol would be expected to volatilize from dry and moist soil(SRC).
Literature: (1) Butler JAV et al; J Chem Soc 1935: 280-5 (1935) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. NY: McGraw-Hill Chapt 15 (1982) (3) Riddick JA et al; Organic Solvents 4th ed; pp. 221-2 NY: Wiley (1986)

The Koc for isopentanol estimated from its water solubility, 26.7 mg/L(1), using recommended regression equations are 720(2) and 679(4). However, the chemicals used in developing these equations were mainly pesticides and their structures are not similar to isopentanol. The Koc for isopentanol estimated from molecular structure is 4(3). This should be a reasonable estimate for the Koc because it is close to the experimental value for the structurally similar chemical, 1-pentanol, 1.6(6). According to a suggested classification scheme(5), the estimated Kocs based on molecular structure suggests that isopentanol is very highly mobile in soil(SRC).
Literature: (1) Riddick JA et al; Organic Solvents 4th ed; pp. 211-2 NY: Wiley (1986) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. NY: McGraw-Hill Chapt 4 (1982) (3) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (4) Wauchope RD et al; Rev Environ Contam Toxicol 123: 1-155 (1991) (5) Swann RL et al; Res Rev 85: 17-28 (1983) (6) Gerstl Z, Helling CS; J Environ Sci Health B22: 55-69 (1987)

Dodecylcarboxylate

Laurinsaeure

laurostearate

dodecylate

Laurostearic acid

POULHZVOKOAJMA-UHFFFAOYSA-N

1-undecanecarboxylate

DODECANOIC ACID

Duodecyclic acid

Duodecylic acid

vulvate

Acide Laurique

dodecanic acid

Dodecoic acid

Dodecylic acid

n-Dodecanoate

1-Undecanecarboxylic acid

ABL

DAO

Dodecanoic Acid Anion

LAP

LAU

lauric acid

Vulvic acid

Dodecanoic acid, analytical standard

Lauric Acid Kosher

3uil

Dodecanoic acid, typically

n-Dodecanoic acid

ACMC-1BTHL

Coconut oil fatty acids

dilauric acid;

Undecane-1-carboxylic acid

AC1L1GY2

AC1Q5W8C

Dodecanoic acid(Lauric acid)

Lauric acid, pure

SCHEMBL5895

Dodecanoic (Lauric) acid

GTPL5534

KSC176I2N

Ninol AA62 Extra

C12 fatty acid

NSC5026

OA(1)ethEa

CCRIS 669

CTK0H6426

Dodecanoic acid (lauric acid)

Emery 650

Emery 651

HMDB00638

Hystrene 9512

Kortacid 1299

L0011

Lauric acid (natural)

Philacid 1200

Wecoline 1295

CHEMBL108766

Dodecanoic acid, 98%

Dodecanoic acid, 99%

Lauric Acid 652

LS-845

Lunac L 70

Lunac L 98

Neo-fat 12

OR55016

Prifac 2920

Prifrac 2920

1160N9NU9U

Aliphat No. 4

bmse000509

C02679

C12:0

D10714

HMS2268C14

HMS3649N06

HSDB 6814

Hydrofol acid 1255

Hydrofol acid 1295

Lauric acid (NF)

Nissan NAA 122

WLN: QV11

DTXSID5021590

Lauric acid, European Pharmacopoeia (EP) Reference Standard

LP003931

NSC-5026

SBB060023

ST023796

STL281860

Univol U 314

Univol U-314

C-1297

CHEBI:30805

DODECANOIC ACID (LAURIC ACID)

DSSTox_CID_1590

UNII-1160N9NU9U

ZINC1529498

AC-16451

AN-23253

ANW-20737

DSSTox_GSID_21590

EBD2203547

Lauric acid, United States Pharmacopeia (USP) Reference Standard

TRA0004834

Dodecanoic acid, >=99.5%

DSSTox_RID_76223

Lauric Acid, pharmaceutical secondary standard; traceable to USP, PhEur

LMFA01010012

MFCD00002736

AI3-00112

NCIOpen2_009480

RTR-035707

TR-035707

AKOS000277433

I04-1205

J-007739

BRN 1099477

Dodecanoic acid, >10% in a non hazardous diluent

Duodecylic acidC12:0 (Lipid numbers)

FEMA No. 2614

FT-0625572

MLS002177807

MLS002415737

Neo-fat 12-43

SMR001253907

Dodecanoic acid, >=99% (GC/titration)

Z966690584

Tox21_202149

Tox21_303010

143-07-7

CH3-[CH2]10-COOH

7632-48-6

8000-62-2

9054-63-1

Dodecanoic acid, 98% 500g

MCULE-2795129925

NCGC00090919-01

NCGC00090919-02

NCGC00090919-03

NCGC00256486-01

NCGC00259698-01

CAS-143-07-7

Edenor C 1298-100

EINECS 205-582-1

Lauric acid, >=98%, FCC, FG

203714-07-2

LAURIC ACID, 99.5% (GLC)

MolPort-000-881-524

629-25-4 (hydrochloride salt)

Lauric acid, natural, >=98%, FCC, FG

Dodecanoic acid, purum, >=96.0% (GC)

2437-23-2 (ammonium salt)

4040-48-6 (magnesium salt)

4696-56-4 (calcium salt)

10124-65-9 (potassium salt)

15337-60-7 (unspecified barium.cadmium salt)

14622-13-0 (lithium salt)

4-02-00-01082 (Beilstein Handbook Reference)

[2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM

76C2A2EB-E8BA-40A6-8032-40A98625ED7B

InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14

A pKa of 5.3(1) indicates dodecanoic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces and moist soil is not expected to be an important fate process(2). Dodecanoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.6X10-5 mm Hg(3).
Literature: (1) Serjeant EP, Dempsey B; IUPAC Chemical Data Series No 23 NY, NY: Pergamon Press (1979) (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Yaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston, TX: Gulf Pub Co (1994)

The Koc of undissociated dodecanoic acid is estimated as 7,600 for the free acid(SRC), using a log Kow of 4.60(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated dodecanoic acid is expected to be immobile in soil. The pKa of dodecanoic acid is 5.3(4) , indicating that this compound will exist almost entirely in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).
Literature: (1) Sangster J; LOGKOW Databank. Sangster Res Lab Montreal Quebec, Canada (1994) (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) (4) Serjeant EP, Dempsey B; IUPAC Chemical Data Series No 23 NY, NY: Pergamon Press (1979) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

Pentylcarbinol

Amylcarbinol

Caproalcohol

Hydroxyhexane

Hexalcohol

Hexanols

ZSIAUFGUXNUGDI-UHFFFAOYSA-N

Caproic alcohol

Caproyl alcohol

HEXANOL

Hexyl alcohol

HEXANOL-CMPD

Nat.Hexanol

NATURAL HEXYL ALCOHOL

1-Hydroxyhexane

1-hydroxyhexyl

BDBM9

n-Hexanol

N-hexenol

AC1Q2WFM

AC1Q2WFN

HE2

hexanol;

C6 alcohol

n-Hexyl alcohol

1-Hexanol

6CP2QER8GS

HEXYL ALCOHOL, ACTIVE

1-Hexyl alcohol

AC1L1Q9T

EPAL 6

Exxal 6

C6H14O

SCHEMBL1877

UNII-6CP2QER8GS

1-Hexanol, analytical standard

Alcohol C-6

Alcohol(C6)

Butanol, ethyl-

KSC178E1L

ACMC-1C26M

CHEMBL14085

Hexan-1-ol

Hexanol (VAN)

Hexyl alcohol (natural)

NSC9254

UN2282

CTK0H8215

Fatty alcohol(C6)

HMDB12971

HSDB 565

n-C6H13OH

WLN: Q6

BIDD:ER0298

NE10250

RL00460

HMS3039L08

n-Hexan-1-ol

DTXSID8021931

FEMA Number 2567

Hexanol-(1)

Jsp000849

LP003954

LP076753

LS-2366

NSC 9254

NSC-9254

OR249512

SBB059899

STL282713

CHEBI:87393

DSSTox_CID_1931

ZINC1699882

AN-43058

ANW-16262

Caswell No. 482E

CJ-06648

CJ-28634

DSSTox_GSID_21931

EBD2203383

SC-22734

TRA0032352

1-Hexanol, 98%

ACN-S002388

DSSTox_RID_76410

LMFA05000117

MFCD00002982

ZINC01699882

AI3-08157

RTR-002242

ST51046167

TR-002242

AKOS009031422

Alcohol C-6, Natural, Natural Hexanol

EPA Pesticide Chemical Code 079047

Exxal 6 (Salt/Mix)

J-002549

S14-1473

1-Hexanol, anhydrous, >=99%

BRN 0969167

FEMA No. 2567

FT-0607887

MLS001055374

SMR000677945

Z955123546

EN300-19338

Tox21_201335

Tox21_302953

1-Hexanol, reagent grade, 98%

111-27-3

3B1-002865

F0001-0237

Hexyl alcohol, >=98%, FCC, FG

MCULE-4299150163

NCGC00090949-01

NCGC00090949-02

NCGC00256385-01

NCGC00258887-01

CAS-111-27-3

EINECS 203-852-3

EINECS 247-346-0

25917-35-5

UN 2282 (Salt/Mix)

220713-27-9

1-Hexanol, 99% 500ml

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

MolPort-001-779-716

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

Hexanols [UN2282] [Flammable liquid]

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

81323-EP2269986A1

81323-EP2272817A1

81323-EP2301919A1

81323-EP2305687A1

81323-EP2371805A1

81323-EP2380568A1

89674-EP2272842A1

89674-EP2292613A1

89674-EP2305033A1

23275-26-5 (aluminum salt)

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

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

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

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)

Phenylmethyl ethanoate

Phenylmethyl acetate

alpha-Acetoxytoluene

Benzylester kyseliny octove

QUKGYYKBILRGFE-UHFFFAOYSA-N

Benzyl ethanoate

Benzyl Acetate Natural

BENZYL ACETATE

(Acetoxymethyl)benzene

Acetic acid phenylmethyl ester

Plastolin I

Acetic acid,phenylmethyl ester

ACETATO DE BENCILO

Acetic acid benzyl

Benzyl acetate, analytical standard

AC1Q1LCB

J0Z

ACETIC ACID:BENZYL ESTER

Acetic acid benzyl ester

Acetic acid, phenylmethyl ester

.alpha.-Acetoxytoluene

AC1L1RP1

Benzylester kyseliny octove [Czech]

Benzyl acetate + glycine combination

0ECG3V79ZJ

Benzyl ester of acetic acid

Benzyl acetate (natural)

KSC176K9F

Acetic acid, benzyl ester

NSC4550

UNII-0ECG3V79ZJ

SCHEMBL43745

CTK0H6592

E1501

Benzyl acetate, >=99%

A0022

BENZYL ACETATE,99+%

AS01460

RL01714

WLN: 1VO1R

ZINC157134

HSDB 2851

ACMC-1C253

FEMA 2135

DSSTox_CID_151

CCRIS 1423

C15513

CHEMBL1233714

STL283809

DTXSID0020151

SBB058375

NSC 4550

NSC-4550

ZB006567

OR218233

OR011104

CHEBI:52051

NCI-C06508

DSSTox_GSID_20151

KB-47793

ANW-20548

AN-23169

Caswell No. 081EA

CC-24469

FCH1111670

ZINC00157134

MFCD00008712

C-35172

DSSTox_RID_75403

RTR-005228

ST50824209

TR-005228

AI3-01996

KB-250608

J-007357

AKOS015841099

I01-6869

W-200649

FT-0621741

FEMA No. 2135

LABOTEST-BB LT00849692

Tox21_201826

Tox21_302841

140-11-4

NCGC00090779-01

Benzyl acetate, >=99%, FCC, FG

MCULE-7952998506

NCGC00259375-01

NCGC00256379-01

NCGC00090779-03

NCGC00090779-02

EINECS 205-399-7

CAS-140-11-4

Benzyl acetate, Selectophore(TM), >=99.5%

EC 205-399-7

Benzyl acetate, natural, >=99%, FCC, FG

MolPort-001-783-867

InChI=1/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H

The Henry's Law constant for benzyl acetate is estimated as 1.1X10-5 atm-cu m/mole(SRC) from its experimental values for vapor pressure, 0.18 mm Hg(1), and water solubility, 3.1X10+3 mg/l(2). This value indicates that benzyl acetate is expected to volatilize from water surfaces(3,SRC). Based on this Henry's Law constant, the estimated volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 4.1 days(3,SRC). The estimated volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 34 days(3,SRC). Benzyl acetate's Henry's Law constant(1,2,SRC) indicates that volatilization from moist soil surfaces may be important(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng., NY, NY: Hemisphere Pub Corp (1989) (2) Chemicals Inspection and Testing Institute; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan. Japan Chemical Industry Ecology-Toxicology and Information Center. ISBN #4-89074-101-1 p. 3-84 (1992) (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 benzyl acetate is estimated as approximately 180(SRC), using a log Kow of 1.96(1) and a regression-derived equation(2,SRC). According to a classification scheme(3), this estimated Koc value suggests that benzyl acetate is expected to have moderate 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. 57 (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: 23 (1983)