hydroxymethylbenzene

Alcoolbenzylique

Hydroxymethyl polystyrene

PENTADEOTEROBENZYL ALCOHOL

Phenylcarbinolum

Polystyrene crosslinked with divinylbenzene, hydroxymethylated

Benzencarbinol

Benzenecarbinol

benzenemethanol

benzenmethanol

Hydroxytoluene

Phenolcarbinol

phenylcarbinol

phenylmethanol

Benzalalcohol

benzylalcohol

Benzylalkohol

enzylalcohol

alcoholum benzylicum

alpha-hydroxytoluene

aplha-Hydroxytoluene

Benzalcohol

Benzylicum

Phenylmethyl alcohol

(Hydroxymethyl)polystyrene

Alcohol bencilico

Alcool benzylique

Averteax

Bentalol

Bentanol

Polystyrene cross-linked with divinylbenzene, hydroxymethylated

WVDDGKGOMKODPV-UHFFFAOYSA-N

a-Hydroxytoluene

Alcool benzilico

Aromatic alcohol

Aromatic primary alcohol

Benzene Carbinol

benzene-methanol

Benzoyl alcohol

Benzyl Alcohole

benzylic alcohol

Methanol benzene

Phenyl Methanol

Phenyl-Methanol

Ulesfia

(Hydroxymethyl)benzene

alpha-Toluenol

Benzal alcohol

benzyl alcohol

Benzyl alcohol Natural

Benzyl alkohol

BENZYL-ALCOHOL

OBZ

TOLUENE,ALPHA-HYDROXY

a-Toluenol

Benzyl alcohol polymer-bound

Benzyl alcohol, analytical standard

ACMC-1BQPG

Benzyl Alcohol Reagent ACS Grade

Itch-X

.alpha.-Hydroxytoluene

Babys Own Teething Gel

CHEMBL720

METHYL, HYDROXYPHENYL-

phenylmethan-1-ol

SCHEMBL147

Zilactin Early Relief Cold Sore

AC1L18SY

BENZYL ALCOHOL, ACS

Benzyl alcohol, polymer-bound

Nat. Benzyl Alcohol

StratoSpheres™ PL-HMS (Hydroxymethylstyrene) resin

Babys Own Gora Teething Lot

LKG8494WBH

Methanol, phenyl-

.alpha.-Toluenol

AC1Q7C20

Benzyl alcohol (natural)

HSDB 46

I765

KSC176G5N

Alcohol bencilico [INN-Spanish]

Alcoholum benzylicum [INN-Latin]

Alcool benzilico [DCIT]

NSC8044

TB 13G

UNII-LKG8494WBH

Alcool benzylique [INN-French]

B2378

BDBM16418

CTK0H6356

E1519

HMDB03119

Sunmorl BK 20

Ulesfia (TN)

WLN: Q1R

AS04466

BIDD:ER0248

DB06770

LS-307

LS41488

RP18893

Benzyl alcohol, European Pharmacopoeia (EP) Reference Standard

bmse000407

C00556

C03485

CCRIS 2081

D00077

DSSTox_CID_152

HMS3264B16

PINAPUR™ 9 BA-R

ZINC895302

AK146334

BBL011938

BC222892

Benzyl alcohol, pharmaceutical secondary standard; traceable to USP and PhEur

DTXSID5020152

Euxyl K 100

HY-B0892

Jsp000133

NSC 8044

NSC-8044

NSC760098

OR034579

OR214344

OR246346

SBB058558

STL163453

ZB015017

A800221

Benzyl alcohol, certified reference material, TraceCERT(R)

Benzyl alcohol, United States Pharmacopeia (USP) Reference Standard

CHEBI:17987

NCI-C06111

AJ-24171

Benzyl alcohol [USAN:INN:JAN]

Caswell No. 081F

DSSTox_GSID_20152

SC-47293

Baby's Own Teething Gel 2.5%

BB_SC-7027

DSSTox_RID_75404

MFCD00004599

MFCD03792087

ZINC00895302

AI3-01680

Benzyl alcohol, LR, >=99%

Benzyl alcohol, tested according to Ph.Eur.

CCG-213843

KB-200532

NSC-760098

RTR-033774

ST24048908

ST51028320

TR-033774

AKOS000119907

Benzyl alcohol (JP15/NF)

EPA Pesticide Chemical Code 009502

I01-4406

J-000153

BRN 0878307

FEMA No. 2137

FT-0622812

FT-0673838

Benzyl alcohol (JP17/NF/INN)

Benzyl alcohol, ReagentPlus(R), >=99%

Z955123784

Benzyl alcohol, anhydrous, 99.8%

Tox21_111172

Tox21_202447

Tox21_300044

100-51-6

Benzyl alcohol, natural, >=98%, FG

F0001-0019

Benzyl alcohol on polystyrene, 3.5 mmol/g

Benzyl alcohol, ACS reagent, >=99.0%

Benzyl alcohol, AR, >=99.5%

1336-27-2

Baby's Own Teething Gel - 2.5%

Benzyl alcohol, >=99%, FCC, FG

MCULE-6011707909

NCGC00091865-01

NCGC00091865-02

NCGC00091865-03

NCGC00091865-04

NCGC00254154-01

NCGC00259996-01

AB01563201_01

Benzyl alcohol, 99% 250g

Benzyl alcohol, SAJ special grade, >=99.0%

CAS-100-51-6

EINECS 202-859-9

66072-40-0

Benzyl alcohol, SAJ first grade, >=98.5%

Benzyl alcohol, Vetec(TM) reagent grade, 98%

Pharmakon1600-01502555

SR-01000872610

185532-71-2

3983-EP2269992A1

3983-EP2270004A1

3983-EP2270005A1

3983-EP2270011A1

3983-EP2270505A1

3983-EP2272516A2

3983-EP2272813A2

3983-EP2272817A1

3983-EP2272822A1

3983-EP2272825A2

3983-EP2272841A1

3983-EP2274983A1

3983-EP2275102A1

3983-EP2275401A1

3983-EP2275411A2

3983-EP2275414A1

3983-EP2275425A1

3983-EP2277565A2

3983-EP2277566A2

3983-EP2277567A1

3983-EP2277568A2

3983-EP2277569A2

3983-EP2277570A2

3983-EP2277848A1

3983-EP2277867A2

3983-EP2277876A1

3983-EP2277879A1

3983-EP2279750A1

3983-EP2280001A1

3983-EP2280003A2

3983-EP2280005A1

3983-EP2280008A2

3983-EP2280010A2

3983-EP2280012A2

3983-EP2281823A2

3983-EP2284149A1

3983-EP2284160A1

3983-EP2287155A1

3983-EP2287160A1

3983-EP2287165A2

3983-EP2287166A2

3983-EP2289884A1

3983-EP2289887A2

3983-EP2289888A2

3983-EP2289892A1

3983-EP2289894A2

3983-EP2292227A2

3983-EP2292280A1

3983-EP2292596A2

3983-EP2292611A1

3983-EP2292612A2

3983-EP2292614A1

3983-EP2292615A1

3983-EP2292620A2

3983-EP2295402A2

3983-EP2295406A1

3983-EP2295411A1

3983-EP2295412A1

3983-EP2295413A1

3983-EP2295426A1

3983-EP2295427A1

3983-EP2295437A1

3983-EP2295550A2

3983-EP2298731A1

3983-EP2298734A2

3983-EP2298735A1

3983-EP2298743A1

3983-EP2298744A2

3983-EP2298750A1

3983-EP2298755A1

3983-EP2298768A1

3983-EP2298772A1

3983-EP2298775A1

3983-EP2298783A1

3983-EP2301918A1

3983-EP2301931A1

3983-EP2301936A1

3983-EP2305243A1

3983-EP2305636A1

3983-EP2305640A2

3983-EP2305651A1

3983-EP2305673A1

3983-EP2305676A1

3983-EP2305695A2

3983-EP2305696A2

3983-EP2305697A2

3983-EP2305698A2

3983-EP2305808A1

3983-EP2308812A2

3983-EP2308828A2

3983-EP2308833A2

3983-EP2308839A1

3983-EP2308844A2

3983-EP2308845A2

3983-EP2308846A2

3983-EP2308854A1

3983-EP2308857A1

3983-EP2308858A1

3983-EP2308861A1

3983-EP2308867A2

3983-EP2308870A2

3983-EP2308872A1

3983-EP2308873A1

3983-EP2308875A1

3983-EP2308877A1

3983-EP2311806A2

3983-EP2311815A1

3983-EP2311816A1

3983-EP2311817A1

3983-EP2311823A1

3983-EP2311824A1

3983-EP2311829A1

3983-EP2311831A1

3983-EP2311834A1

3983-EP2311837A1

3983-EP2311842A2

3983-EP2314575A1

3983-EP2314584A1

3983-EP2314585A1

3983-EP2316470A2

3983-EP2316829A1

3983-EP2316831A1

3983-EP2316834A1

3983-EP2316835A1

3983-EP2316836A1

3983-EP2372017A1

3983-EP2374454A1

3983-EP2374783A1

3983-EP2374790A1

3983-EP2374792A1

3983-EP2380568A1

BENZYL ALCOHOL, U.S.P./N.F.

MolPort-001-783-216

Benzyl alcohol, PharmaGrade, USP/NF, Ph Eur, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production.

SR-01000872610-3

Benzyl alcohol, p.a., ACS reagent, 99.0%

4-06-00-02222 (Beilstein Handbook Reference)

3762963D-6C2A-4BFF-AD94-3180E51BCA68

(Hydroxymethyl)polystyrene, 200-400 mesh, extent of labeling: ~1.7 mmol/g loading

(Hydroxymethyl)polystyrene, 200-500 mesh, extent of labeling: ~1.1 mmol/g loading

Benzyl alcohol, puriss. p.a., ACS reagent, >=99.0% (GC)

Benzyl alcohol, puriss., meets analytical specification of Ph.??Eur., BP, NF, 99-100.5% (GC)

StratoSpheres(TM) PL-HMS (Hydroxymethylstyrene) resin, 50-100 mesh, extent of labeling: 2.0 mmol loading, 1 % cross-linked

Benzyl alcohol, polymer-bound, 70-90 mesh, extent of labeling: 2.0-3.0 mmol loading, 1 % cross-linked

InChI=1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H

Benzyl alcohol, polymer-bound, 70-90 mesh, extent of labeling: 0.5-1.0 mmol/g loading, 1 % cross-linked with divinylbenzene

Benzyl alcohol, polymer-bound, 70-90 mesh, extent of labeling: 1.0-1.5 mmol/g loading, 1 % cross-linked

Benzyl alcohol, polymer-bound, 100-200 mesh, extent of labeling: 1.0-2.0 mmol/g loading, 1 % cross-linked with divinylbenzene

Benzyl alcohol, polymer-bound, 100-200 mesh, extent of labeling: 0.5-1.0 mmol/g loading, 1 % cross-linked

The Henry's Law constant for benzyl alcohol is 3.37X10-7 atm cu m/mole(1). This Henry's Law constant indicates that benzyl alcohol is expected to be essentially nonvolatile from water and moist soil 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 113 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 825 days(SRC). Benzyl alcohol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzyl alcohol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 9.4X10-2 mm Hg(3).
Literature: (1) Abraham MH et al; J Pharm Sci 83: 1085-100 (1994) (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)

Experimental Koc values for benzyl alcohol were <5 for three different soils; Apison (0.11% organic carbon), Fullerton (0.06% organic carbon), and Dormont (1.2% organic carbon)(1). An experimental Koc of 15 was determined for benzyl alcohol on a red-brown Australian soil (1.09% organic carbon)(2,3). A log Koc of 1.43 has also been reported(4). According to a classification scheme(5), these Koc values suggest that benzyl alcohol is expected to have very high mobility in soil.
Literature: (1) Southworth GR, Keller JL; Water Air Soil Poll 28: 239-48 (1986) (2) Briggs GG; Aust J Soil Res 19: 61-8 (1981) (3) Briggs GG; J Agric Food Chem 29: 1050-9 (1981) (4) Xu F et al; J Environ Qual 30: 1618-23 (2001) (5) Swann RL et al; Res Rev 85: 17-28 (1983)

Asymmetrical trimethylbenzene

Pseudocumene

Pseudocumol

as-Trimethylbenzene

Uns-trimethylbenzene

GWHJZXXIDMPWGX-UHFFFAOYSA-N

pseudo-cumene

pseudo cumene

XBZ

Psi-cumene

1,4-Trimethylbenzene

AC1L1OC7

Trimethyl benzene (Related)

X8415

CTK3J0662

S0662

.psi.-Cumene

AS00262

BIDD:ER0682

NSC65600

ACMC-20ap77

HSDB 5293

1,3,4-Trimethylbenzene

1,2,5-Trimethylbenzene

1,2,4-TRIMETHYLBENZENE

CCRIS 8146

1,2,4 trimethylbenzene

C14533

CHEMBL1797280

LS-7737

DTXSID6021402

OR000440

OR276801

OR276802

AK114007

SBB060396

STL268868

ZINC1692473

Benzene,2,4-trimethyl-

DSSTox_CID_1402

CHEBI:34039

TRA0086930

NSC 65600

NSC-65600

AN-24325

AJ-30145

34X0W8052F

SC-46730

LABOTEST-BB LTBB001896

KB-10020

1,2,4-Trimethylbenzene, analytical standard

CJ-28236

DSSTox_GSID_21402

1,2,4-Trimethyl benzene

UNII-A3F3279Q14 component GWHJZXXIDMPWGX-UHFFFAOYSA-N

1,2,4-trimethyl-benzene

ZINC01692473

DSSTox_RID_76140

MFCD00008527

ST51046585

ST24036666

TR-029817

KB-149700

UNII-34X0W8052F

AI3-03976

RTR-029817

AKOS000120059

FT-0606255

I14-20043

95-63-6

Tox21_200518

Tox21_300049

WLN: 1R B1 D1

Z1262252998

F0001-2275

CAS-95-63-6

1,2,4-Trimethylbenzene, 98%

NCGC00258072-01

MCULE-5935311187

METHYL, (2,5-DIMETHYLPHENYL)-

METHYL, (3,4-DIMETHYLPHENYL)-

Benzene, 1,2,4-trimethyl-

Benzene, 1,2,5-trimethyl-

NCGC00247891-01

NCGC00247891-02

NCGC00254118-01

EINECS 202-436-9

1,2,4-Trimethylbenzene, certified reference material, TraceCERT(R)

MolPort-019-361-390

213343-EP2380867A1

1,2,4-Trimethylbenzene, 98% 500g

InChI=1/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H

The Henry's Law constant for 1,2,4-trimethylbenzene was measured as 6.16X10-3 atm-cu m/mol(1). This value indicates that 1,2,4-trimethylbenzene will volatilize from moist soil and water surfaces(2). 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)(2) is approximately 3 hours(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)(2) is approximately 4 days(SRC). Volatilization of 1,2,4-trimethylbenzene from dry soil surfaces is expected(SRC) based upon its vapor pressure of 2.1 mm Hg(3).
Literature: (1) Sanemasa I et al; Bull Chem Soc Jpn 55: 1054-62 (1982) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
Literature: #Complete removal of 1,2,4-trimethylbenzene (at 0.068 ug/mL soil extract) from sandy loam soil samples contaminated with jet fuel was reported within 5 days; sterile samples with 1,2,4-trimethylbenzene at 0.057 ug/mL soil extract also showed complete removal of this compound within 5 days, probably through evaporation(1). Jet fuel added to water (and then stirred) had an average volatilization ratio (volatilization rate constant of the compound/oxygen reaeration rate constant) of 0.59 for JP-4 fuel and a ratio of 0.45 for JP-8 fuel for the 1,2,4-trimethylbenzene component, indicating high volatility of this compound from water(2).
Literature: (1) Dean-Ross D; Bull Environ Contam Toxicol 51: 596-99 (1993) (2) Smith JH, Harper JC; pp. 336-53 in Proceed 12th Conf on Environ Toxicol 3, 4, and 5. Nov. 1981. Airforce Aerospace Medical Research Lab. Ohio (1982)

A Koc value of 537 was measured for 1,2,4-trimethylbenzene in a German soil (80.5% sand 12.3% silt, 7.2% clay, 2.48% organic carbon). According to a suggested classification scheme(2), this Koc value suggests that 1,2,4-trimethylbenzene will have low mobility in soil(SRC).
Literature: (1) Brusseau ML; Environ Toxicol Chem 12: 1835-46 (1993) (2) Swann RL et al; Res Rev 85: 23 (1983)

TVMXDCGIABBOFY-UHFFFAOYSA-N

octane

Oktanen

Ottani

Normal octane

octan

Oktan

octyl group

Octane, analytical standard

n-octane

n-Oktan

X1RV0B2FJV

AC1Q2VV5

Octane, all isomers

UNII-X1RV0B2FJV

Heptane, methyl-

KSC180A3D

Oktanen [Dutch]

Ottani [Italian]

n-OCTANE, REAG

NSC9822

octan-3-yl

Oktan [Polish]

c0044

CTK0I0031

HMDB01485

HSDB 108

O0022

O0118

O0151

S0280

WLN: 8H

AC1L1924

ACMC-2099aa

CHEMBL134886

n-C8H18

RP19167

bmse000480

C01387

LTBB002318

DTXSID0026882

LP019024

LP067606

LP068562

NSC 9822

NSC-9822

Octane, anhydrous, >=99%

CHEBI:17590

DSSTox_CID_6882

ZINC1529191

AN-43081

ANW-16304

DSSTox_GSID_26882

LS-97843

SC-78848

TRA0072181

DSSTox_RID_78237

LMFA11000002

MFCD00009556

AI3-28789

Octane, reagent grade, 98%

RTR-002289

TR-002289

AKOS015904009

J-002613

ZINC112927690

FT-0696530

I14-17863

I14-91421

Tox21_202452

111-65-9

F0001-0244

CH3-[CH2]6-CH3

MCULE-3248084959

NCGC00249228-01

NCGC00260001-01

CAS-111-65-9

EINECS 203-892-1

31372-91-5

50985-84-7

n-Octane, 98% 100ml

4067-EP1441224A2

4067-EP2269986A1

4067-EP2270113A1

4067-EP2272537A2

4067-EP2272935A1

4067-EP2274983A1

4067-EP2275398A1

4067-EP2277871A1

4067-EP2277878A1

4067-EP2280005A1

4067-EP2281821A1

4067-EP2284171A1

4067-EP2289509A2

4067-EP2289879A1

4067-EP2289884A1

4067-EP2289965A1

4067-EP2292576A2

4067-EP2292606A1

4067-EP2298775A1

4067-EP2298778A1

4067-EP2298828A1

4067-EP2301918A1

4067-EP2305642A2

4067-EP2305658A1

4067-EP2308873A1

4067-EP2311804A2

4067-EP2314558A1

4067-EP2371795A1

4067-EP2374780A1

4067-EP2374781A1

4067-EP2380568A1

4067-EP2380869A1

4067-EP2380870A1

MolPort-001-783-723

15416-EP2275407A1

15416-EP2275469A1

15416-EP2287940A1

15416-EP2289965A1

15416-EP2298828A1

15416-EP2301983A1

15416-EP2305683A1

15416-EP2305825A1

15416-EP2308926A1

15416-EP2309564A1

15416-EP2309584A1

15416-EP2311821A1

15416-EP2311839A1

15416-EP2314577A1

15416-EP2314589A1

15416-EP2316837A1

Octane, p.a., 99.0%

143914-EP2287165A2

143914-EP2287166A2

143914-EP2292592A1

143914-EP2292620A2

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

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

EEE64B73-0375-4303-AFD5-0795361807FF

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

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)

Monoterpenes

BQOFWKZOCNGFEC-UHFFFAOYSA-N

Carene

alpha-Carene

AC1L1AAR

d3-carene

3-Carene

Delta-3-Carene

ACMC-1ADO8

3-Carene, analytical standard

AC1Q29W8

S-3-Carene

CTK3J2995

NE10089

Delta(3)-Carene

CHEMBL506854

Delta-car-3-ene

OR126426

OR038357

DTXSID4047462

OR126427

delta(sup 3)-Carene

SBB060476

CHEBI:35661

3-Karen [Czech]

AN-18424

ANW-19700

.delta. 3-carene

FCH1117427

LS-43716

LS-52533

DSSTox_GSID_47462

3-.delta.-Carene

DSSTox_RID_82362

DSSTox_CID_27462

3-Carene, >=90%

3-Carene, 90%

ST51046655

TR-004700

DB-063033

RTR-004700

AKOS015840953

Delta 3 Carene 90 PF

W-110341

FT-0624500

.DELTA.-caR-3-ene

BRN 1902766

I14-52597

Tox21_302632

(+)Car-3-ene

4,7,7-Trimethyl-3-norcarene

(+-)-delta3-Carene

EN300-173315

NCGC00256842-01

MCULE-2811504753

(+-)-3-Carene

EINECS 236-719-3

13466-78-9

74806-04-5

CAS-13466-78-9

MolPort-006-120-436

3-Norcarene, 3,7,7-trimethyl-

3,7,7-Trimethylbicyclo[4.1.0]-3-heptene

3,7,7-Trimethylbicyclo(4.1.0)hept-3-ene

3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene

4,7,7-trimethylbicyclo[4.1.0]hept-3-ene

3,7,7-trimethyl-bicyclo[4.1.0]hept-3-ene

Bicyclo(4.1.0)hept-3-ene, 3,7,7-trimethyl-

Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-

3,7,7(or 4,7,7)-Trimethylbicyclo(4.1.0)hept-3-ene

Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-, (1S)-

Bicyclo(4.1.0)hept-3-ene, 3,7,7(or 4,7,7)-trimethyl-

Bicyclo[4.1.0]hept-3-ene, 3,7,7(or 4,7,7)-trimethyl-

Diethylmethylmethane

PFEOZHBOMNWTJB-UHFFFAOYSA-N

3-METHYLPENTANE

3-methylpentyl

3-Methylpentane, analytical standard

3-methyl pentane

AC1L1OF1

3-Methyl-pentane

XD8O3ML76T

KSC487I1B

UNII-XD8O3ML76T

CTK3I7410

M0383

ACMC-209s6l

UNII-RQA19361ZA component PFEOZHBOMNWTJB-UHFFFAOYSA-N

CHEMBL357767

NSC66497

HSDB 5300

LTBB003256

3-Methylpentane, >=99%

OR020271

OR236808

LP081391

OR249368

DTXSID8052647

Pentane, 3-methyl-

ZINC1693925

CHEBI:88373

NSC-66497

(C2H5)2CHCH3

TRA0127058

AN-24337

ANW-40795

BUTYL, 2-ETHYL-

CC-15638

FCH1112918

NSC 66497

CJ-28383

KB-32840

CJ-06565

MFCD00009342

C-24728

DB-057623

AI3-28852

RTR-030123

TR-030123

J-002021

AKOS015841880

FT-0616168

I14-20048

96-14-0

PROPYL, 1-ETHYL-1-METHYL-

MCULE-2542807917

EINECS 202-481-4

3-Methylpentane, 99% 100ml

InChI=1/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H

The Henry's Law constant for 3-methylpentane is estimated as 1.7 atm-cu m/mole(SRC) derived from its vapor pressure, 190 mm Hg(1), and water solubility, 17.9 mg/L(2). This Henry's Law constant indicates that 3-methylpentane 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 57 minutes(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 3.7 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 11 days if adsorption is considered(4). 3-Methylpentane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 3-methylpentane from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Riddick JA et al; Techniques of Chemistry. 4th ed. Volume II. Organic Solvents. New York, NY: John Wiley and Sons p. 96 (1985) (2) Yalkowsky SH, He Y, eds; Handbook of aqueous solubility data. Boca Raton, FL: CRC Press p. 321 (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)

The Koc of 3-methylpentane is estimated as 2,200(SRC), using a log Kow of 3.60(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 3-methylpentane is expected to have slight mobility in soil.
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)

Dipropylmethane

Heptanen

Heptanes

IMNFDUFMRHMDMM-UHFFFAOYSA-N

Dipropyl methane

Eptani

Heptan

HEPTANE

Heptyl hydride

Skellysolve C

Gettysolve-C

Heptane, analytical standard

Heptane, Laboratory Reagent

n-Heptane

2ygu

AC1L1RWV

heptan-e

HP6

n-Heptan

n-Heptane, Spectrophotometric Grade

ACMC-1CCAB

Heptane, technical grade

n-Heptane Reagent Grade

n-Heptane, Environmental Grade

Heptane 96%

n-Heptane HPLC grade

n-Heptane, anhydrous

Heptane, for HPLC

Eptani [Italian]

Heptan [Polish]

heptan-3-yl

Heptane, pharmaceutical secondary standard; traceable to USP

Heptanen [Dutch]

HSDB 90

KSC177G3T

Pentane, ethyl-

7811AF

UN1206

CTK0H7339

n-Heptane, HPLC grade

Q0037

Q0041

S0279

WLN: 7H

CHEMBL134658

Heptane (GC grade)

Heptane (n-Heptane)

Heptane, spectrophotometric grade, 99%

n-C7H16

NSC62784

RL01771

456148SDMJ

Exxsol heptane (Salt/Mix)

LTBB002317

DTXSID6024127

Heptane, United States Pharmacopeia (USP) Reference Standard

Heptane, UV HPLC spectroscopic, mixture of isomers

LP074083

LP074084

LP080331

300108X

A807968

CHEBI:43098

DSSTox_CID_4127

Heptane, anhydrous, 99%

Heptane, purification grade, 99%

UNII-456148SDMJ

ZINC1691363

AN-23243

CJ-28194

DSSTox_GSID_24127

Heptane-1,1,1-triylradical

KB-52381

LS-74295

NSC 62784

NSC-62784

SC-27097

DSSTox_RID_77301

Heptane, 99.5%

Heptane, AR, >=99%

Heptane, LR, >=99%

LMFA11000575

MFCD00009544

AI3-28784

Heptane, HPLC grade, >=99%

Heptane, UV HPLC spectroscopic, 95%

RTR-005469

TR-005469

AKOS009158011

Heptane, for HPLC, >=96%

Heptane, for HPLC, >=99%

I14-2704

J-007700

FT-0659788

Heptane, biotech. grade, >=99%

Heptane, >=99% (capillary GC)

Heptane, ReagentPlus(R), 99%

Tox21_201213

142-82-5

F1908-0180

Heptane, ASTM, 99.8%

UN 1206 (Related)

CH3-[CH2]5-CH3

Heptane, B&J Brand (product of Burdick & Jackson)

Heptane, UV HPLC spectroscopic, 99.5%

8031-33-2

Heptane, for HPLC, >=99.5%

Heptane, SAJ special grade, >=99.0%

MCULE-5817084747

NCGC00248959-01

NCGC00258765-01

CAS-142-82-5

EINECS 205-563-8

Heptane, p.a., 95%

Heptane, SAJ first grade, >=98.0%

44607-13-8

Heptanes [UN1206] [Flammable liquid]

935-EP2269651A2

935-EP2269977A2

935-EP2269986A1

935-EP2269989A1

935-EP2270000A1

935-EP2270011A1

935-EP2272537A2

935-EP2272822A1

935-EP2272826A1

935-EP2272830A1

935-EP2272837A1

935-EP2272841A1

935-EP2272972A1

935-EP2272973A1

935-EP2274983A1

935-EP2275401A1

935-EP2275403A1

935-EP2275410A1

935-EP2275411A2

935-EP2277861A1

935-EP2277872A1

935-EP2277878A1

935-EP2277898A2

935-EP2279741A2

935-EP2279751A2

935-EP2280000A1

935-EP2280001A1

935-EP2280005A1

935-EP2280006A1

935-EP2280012A2

935-EP2280013A1

935-EP2280014A2

935-EP2281559A1

935-EP2281813A1

935-EP2281821A1

935-EP2281822A1

935-EP2283811A1

935-EP2284148A1

935-EP2286811A1

935-EP2287141A1

935-EP2287152A2

935-EP2287153A1

935-EP2287154A1

935-EP2287168A2

935-EP2289509A2

935-EP2289879A1

935-EP2289884A1

935-EP2289890A1

935-EP2289965A1

935-EP2292233A2

935-EP2292576A2

935-EP2292592A1

935-EP2292607A2

935-EP2292609A1

935-EP2292612A2

935-EP2292622A1

935-EP2292628A2

935-EP2295401A2

935-EP2295409A1

935-EP2295410A1

935-EP2295411A1

935-EP2295417A1

935-EP2295418A1

935-EP2295423A1

935-EP2295429A1

935-EP2295437A1

935-EP2295439A1

935-EP2298742A1

935-EP2298743A1

935-EP2298751A2

935-EP2298755A1

935-EP2298766A1

935-EP2298767A1

935-EP2298775A1

935-EP2298828A1

935-EP2299326A1

935-EP2301544A1

935-EP2301918A1

935-EP2301923A1

935-EP2301924A1

935-EP2301931A1

935-EP2301933A1

935-EP2301939A1

935-EP2302015A1

935-EP2305625A1

935-EP2305627A1

935-EP2305642A2

935-EP2305647A1

935-EP2305649A1

935-EP2305655A2

935-EP2305658A1

935-EP2305666A1

935-EP2305667A2

935-EP2305668A1

935-EP2305672A1

935-EP2305675A1

935-EP2305676A1

935-EP2305685A1

935-EP2305686A1

935-EP2305687A1

935-EP2305695A2

935-EP2305696A2

935-EP2305697A2

935-EP2305698A2

935-EP2305808A1

935-EP2305825A1

935-EP2308471A1

935-EP2308479A2

935-EP2308848A1

935-EP2308851A1

935-EP2308857A1

935-EP2308867A2

935-EP2308870A2

935-EP2308872A1

935-EP2308926A1

935-EP2311802A1

935-EP2311803A1

935-EP2311814A1

935-EP2311820A1

935-EP2311821A1

935-EP2311823A1

935-EP2311824A1

935-EP2311827A1

935-EP2311829A1

935-EP2311830A1

935-EP2314295A1

935-EP2314576A1

935-EP2314591A1

935-EP2314593A1

935-EP2316824A1

935-EP2316829A1

935-EP2316832A1

935-EP2316833A1

935-EP2316836A1

935-EP2371795A1

935-EP2371797A1

935-EP2371798A1

935-EP2371800A1

935-EP2371804A1

935-EP2374454A1

935-EP2374783A1

935-EP2377841A1

935-EP2377847A1

935-EP2380568A1

935-EP2380874A2

5105-EP2269989A1

5105-EP2272829A2

5105-EP2272837A1

5105-EP2272841A1

5105-EP2275407A1

5105-EP2275411A2

5105-EP2275419A2

5105-EP2275469A1

5105-EP2277878A1

5105-EP2280001A1

5105-EP2280014A2

5105-EP2281559A1

5105-EP2287154A1

5105-EP2287168A2

5105-EP2287940A1

5105-EP2289509A2

5105-EP2289897A1

5105-EP2289965A1

5105-EP2292628A2

5105-EP2295401A2

5105-EP2295429A1

5105-EP2298745A1

5105-EP2298755A1

5105-EP2298828A1

5105-EP2301983A1

5105-EP2305683A1

5105-EP2305825A1

5105-EP2308861A1

5105-EP2308926A1

5105-EP2309564A1

5105-EP2311801A1

5105-EP2311802A1

5105-EP2311803A1

5105-EP2311820A1

5105-EP2311821A1

5105-EP2311823A1

5105-EP2311830A1

5105-EP2311839A1

5105-EP2314576A1

5105-EP2314577A1

5105-EP2314589A1

5105-EP2316837A1

5105-EP2371814A1

5105-EP2371831A1

5105-EP2380874A2

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

MolPort-001-783-726

Heptanes [UN1206] [Flammable liquid]

19042-EP2272846A1

19042-EP2275403A1

19042-EP2275408A1

19042-EP2275422A1

19042-EP2277868A1

19042-EP2277869A1

19042-EP2277870A1

19042-EP2292608A1

19042-EP2305808A1

19042-EP2308851A1

19042-EP2308852A1

19042-EP2308866A1

19042-EP2314576A1

19042-EP2314580A1

25659-EP2292616A1

25659-EP2314580A1

Heptane, p.a., 95.0%

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

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

n-Heptane, Environmental, 96.0% min. 1L

Heptane, HPLC Plus, for HPLC, GC, and residue analysis, 99%

Heptane, p.a., 88.0-92.0%

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

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

B7F4D751-FB0E-4F48-9829-D952CEC36530

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

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

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

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

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

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