3-Ethyltoluene

620-14-4

1-Ethyl-3-methylbenzene

M-ETHYLTOLUENE

1-Methyl-3-ethylbenzene

Benzene, 1-ethyl-3-methyl-

m-Ethylmethylbenzene

m-Methylethylbenzene

Toluene, m-ethyl-

3-Methylethylbenzene

3-Ethyl-d5-toluene

NSC 74176

1-Ethyl-3-methyl-benzene

CHEMBL31274

737PTD7O7E

DTXSID6050386

CHEBI:77512

NSC-74176

3-Ethyltoluene 100 microg/mL in Methanol

3-ethyl-1-methylbenzene

EINECS 210-626-8

UNII-737PTD7O7E

m-Ethyl_toluene

meta-Ethyltoluene

3-ethylmethylbenzene

1,3-methylethylbenzene

3-Ethyltoluene, 97%

3-Ethyltoluene, 99%

ETHYLTOLUENE, M-

Benzene, 3-ethyl-1-methyl-

BIDD:ER0585

DTXCID807876

1-ETHYL 3-METHYL BENZENE

NSC74176

Tox21_202857

BBL103656

BDBM50167946

MFCD00009259

STL557466

AKOS009158576

CS-W013572

MCULE-5855615432

NCGC00260403-01

CAS-620-14-4

DB-054039

E0185

NS00002303

EN300-32024

F11740

A868581

Q27105073

Z337707758

InChI=1/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H

1,2,4-TRIMETHYLBENZENE

95-63-6

Pseudocumene

Pseudocumol

Psi-cumene

as-Trimethylbenzene

1,3,4-Trimethylbenzene

Benzene, 1,2,4-trimethyl-

Uns-trimethylbenzene

1,2,5-Trimethylbenzene

Asymmetrical trimethylbenzene

.psi.-Cumene

pseudo-cumene

1,2,4-trimethyl-benzene

1,2,4-Trimethyl benzene

Benzene, 1,2,5-trimethyl-

NSC 65600

DTXSID6021402

CHEBI:34039

NSC-65600

34X0W8052F

DTXCID701402

CAS-95-63-6

1,2,4-Trimethylbenzene, analytical standard

HSDB 5293

EINECS 202-436-9

pseudo cumene

AI3-03976

CCRIS 8146

UNII-34X0W8052F

1,4-Trimethylbenzene

PSUEDO-CUMENE

laquo Psiraquo -Cumene

METHYL-P-XYLENE

Benzene,2,4-trimethyl-

PSEUDOCUMENE [MI]

1,2,5-trimethyl-benzene

1,2, 4-Trimethylbenzene

EC 202-436-9

BIDD:ER0682

TRIMETHYLBENZENE [INCI]

1.2.4-TRIMETHYLBENZENE

CHEMBL1797280

WLN: 1R B1 D1

1,2,4-Trimethylbenzene, 98%

21 - VOCs (Perkin Elmer tubes)

NSC65600

TRIMETHYLBENZENE, 1,2,4-

Tox21_200518

Tox21_300049

MFCD00008527

STL268868

06C - Benzene, Toluene and Xylenes

AKOS000120059

1,2,4-Trimethylbenzene (pseudocumene)

MCULE-5935311187

1,2,4-TRIMETHYLBENZENE [HSDB]

NCGC00247891-01

NCGC00247891-02

NCGC00254118-01

NCGC00258072-01

PS-11947

1,2,4-Trimethylbenzene (ACD/Name 4.0)

NS00006467

S0662

T0469

EN300-20076

A937622

Q376994

1,2,4-Trimethylbenzene 100 microg/mL in Methanol

F0001-2275

Z104476700

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

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

XBZ

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)

1-Ethyl-2-methylbenzene

2-Ethyltoluene

611-14-3

O-ETHYLTOLUENE

o-Methylethylbenzene

1-Methyl-2-ethylbenzene

Toluene, o-ethyl-

ortho-Ethyltoluene

Benzene, 1-ethyl-2-methyl-

1,2-methylethylbenzene

o-Ethyl methyl benzene

o-Ethylmethylbenzene

Ethyltoluene

25550-14-5

2-Methylethylbenzene

NSC 405731

2-Methyl-1-ethylbenzene

CHEMBL364233

DBX00873SV

DTXSID2050403

CHEBI:34276

NSC-405731

o-Ethyl methylbenzene

Ethyltoluene, o-

2-ethyl-1-methylbenzene

EINECS 210-255-1

1-ethyl-2-methyl-benzene

BRN 1851237

UNII-DBX00873SV

AI3-28773

2-ethyl toluene

2-ethylmethylbenzene

Toluene, 2-ethyl-

2-Ethyltoluene, 99%

2-Ethyltoluene 100 microg/mL in Methanol

4-05-00-00999 (Beilstein Handbook Reference)

BIDD:ER0573

WLN: 2R B1

DTXCID5029477

Tox21_303797

BDBM50167949

MFCD00009257

NSC405731

AKOS015842902

AC-6953

CS-W009542

DS-2369

MCULE-7161910991

NCGC00356979-01

CAS-611-14-3

DB-024735

A8492

AM20040851

E0184

NS00002055

J-504600

Q27115961

2-Ethyltoluene, certified reference material, TraceCERT(R)

InChI=1/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H

1-METHYLNAPHTHALENE

90-12-0

METHYLNAPHTHALENE

alpha-Methylnaphthalene

1321-94-4

Naphthalene, 1-methyl-

Naphthalene, methyl-

1-methyl-naphthalene

1-Methylnapththalene

alpha-methyl naphthalenes

Methyl naphthalene

FEMA No. 3193

.alpha.-Methylnaphthalene

Methyl-1-naphthalene

CHEMBL383808

DTXSID9020877

CHEBI:50717

E7SK1Y1311

NSC-3574

MFCD00004034

DTXCID30877

FEMA Number 3193

Naphthalene, alpha-methyl-

1-Methylnaphthalene, analytical standard

CAS-90-12-0

1-Methyl naphthalene

CCRIS 6151

HSDB 5268

NSC 3574

EINECS 201-966-8

UNII-E7SK1Y1311

AI3-15378

methyl-naphthalene

1-methylnaphtalene

Naphthalene, 1-methyl-; 1-Methylnaphthalene; Mechinafu H; Methynaph H; NSC 3574; ?-Methylnaphthalene

MECHINAFU H

METHYNAPH H

naphthalene, 1-methyl

alpha-methyl-naphthalene

bmse000531

EC 201-966-8

1-Methylnaphthalene, 95%

1-Methylnaphthalene, 96%

MLS001050152

BIDD:ER0662

1-Methylnaphthalene, >=95%

WLN: L66J B1

FEMA 3193

DTXSID10225161

NSC3574

1-METHYLNAPHTHALENE [FHFI]

1-METHYLNAPHTHALENE [HSDB]

AMY38999

Tox21_201768

Tox21_300339

BDBM50159279

STL283953

AKOS000120012

MCULE-4027275839

NCGC00091700-01

NCGC00091700-02

NCGC00091700-03

NCGC00254488-01

NCGC00259317-01

PD124014

SMR001216533

DB-049234

DB-078596

M0371

NS00002590

EN300-19783

1-Methylnaphthalene 10 microg/mL in Cyclohexane

1-Methylnaphthalene 10 microg/mL in Acetonitrile

A806392

A843450

Q161656

J-505002

Z104475342

1-Methylnaphthalene, TraceCERT(R), certified reference material

InChI=1/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H

The Henry's Law constants for 1- and 2-methylnaphthalene are 5.14X10-4 and 5.18X10-4 atm-cu m/mole, respectively(1). These Henry's Law constants indicate that methylnaphthalenes are expected to volatilize from water surfaces(2). Based on these Henry's Law constants, 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 5.5 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 5.3 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column(SRC). The estimated volatilization half-life from a model pond is 23 to 78 days if adsorption is considered(4). The Henry's Law constants for 1- and 2-methylnaphthalene indicate that volatilization from moist soil surfaces may occur(SRC). Methylnaphthalenes are not expected to volatilize from dry soil surfaces(SRC) based upon vapor pressures of 0.067 mm Hg(5) and 0.055 mm Hg(6) for 1- and 2-methylnaphthalene, respectively.
Literature: (1) Altschuh J et al; Chemosphere 39: 1871-87 (1999) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Jan 5, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (4) US EPA; EXAMS II Computer Simulation (1987) (5) Macknick AB, Prausnitz JM; J Chem Eng Data 24: 175-8 (1979) (6) Karyakin NV et al; Zh Fiz Khim 42: 1814-16 (1968)
Literature: #The Henry's Law constant for 1-methylnaphthalene is reported as 5.14X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that 1-methylnaphthalene 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 5.5 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 5.3 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 23-41 days if adsorption is considered(3). 1-Methylnaphthalene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Methylnaphthalene is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.067 mm Hg(4).
Literature: (1) Altschuh J et al; Chemosphere 39: 1871-87 (1999) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; EXAMS II Computer Simulation (1987) (4) Macknick AB, Prausnitz JM; J Chem Eng Data 24: 175-8 (1979)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of methylnaphthalenes can be estimated to be 2530(SRC). However, 1-methylnaphthalene has reported Koc values of 2290(2) and 4400(3) and 2-methylnaphthalene has a reported Koc value of 4350(2) and measured Koc value of 8500(3). According to a classification scheme(4), these Koc values suggest that methylnaphthalenes are expected to have slight to no mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Jan 5, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Sabljic A et al; Chemosphere 31: 4489-514 (1995) (3) Sabljic A, Protic M; Bull Environ Contam Toxicol 28: 162-5 (1982) (4) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #A log Koc value of 3.36 was reported in soil(1). An average log Kp for 1-methylnaphthalene of 1.96 was determined from 17 measurements(2). The log Koc values for 1-methylnaphthalene in 88 sediment samples were 2.76-5.78(3). According to a classification scheme(4), these Koc values suggest that 1-methylnaphthalene is expected to have slight to no mobility in soil. The logarithmic sorption coefficient of 1-methylnaphthalene to snow was 5.79(5).
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-11 (2006) (2) Vowles PD, Mantoura RFC; Chemosphere 16: 109-16 (1987) (3) Hawthorne SB et al; Environ Toxicol Chem 25: 2901-11 (2006) (4) Swann RL et al; Res Rev 85: 17-28 (1983) (5) Roth CM et al; Environ Sci Technol 38: 4078-84 (2004)

1-butanol

Butan-1-ol

butanol

n-butanol

71-36-3

Butyl alcohol

n-butyl alcohol

1-hydroxybutane

Propylcarbinol

Butyl hydroxide

Methylolpropane

Propylmethanol

Hemostyp

n-Butan-1-ol

Butyric alcohol

1-Butyl alcohol

Butanolo

Propyl carbinol

Alcool butylique

Butylowy alkohol

BuOH

Butanolen

Normal primary butyl alcohol

RCRA waste number U031

CCS 203

n-Butylalkohol

Alcohol, Butyl

Butyl alcohol (natural)

FEMA No. 2178

FEMA Number 2178

1 Butanol

35296-72-1

Butyric or normal primary butyl alcohol

n-BuOH

HSDB 48

NSC 62782

CCRIS 4321

butanol-1

n-Butyl-1,1-d2 Alcohol

EINECS 200-751-6

UNII-8PJ61P6TS3

8PJ61P6TS3

Butyl alcohol (NF)

Butyl alcohol [NF]

ALCOHOL,BUTYL

DTXSID1021740

CHEBI:28885

AI3-00405

n-Butyl--d6 Alcohol

MFCD00002964

NSC-62782

1219794-84-9

64118-16-7

CHEMBL14245

DTXCID701740

1-Butanol-4,4,4-d3

EC 200-751-6

NCGC00090961-02

Butanols

1-BUTANOL-3,3,4,4,4-D5

BUTYL ALCOHOL (II)

BUTYL ALCOHOL [II]

n-Propyl carbinol

Butanol [French]

Butanolen [Dutch]

Butanolo [Italian]

1-Butanol, analytical standard

BUTYL ALCOHOL (MART.)

BUTYL ALCOHOL [MART.]

VANADIUM TETRABUTOXIDE

n-Butanol, Butan-1-ol, 1-Butanol

6167-45-9

n Butanol

n Butyl Alcohol

Alcool butylique [French]

Butylowy alkohol [Polish]

1-Butanol, ACS reagent, >=99.4%

CAS-71-36-3

Alcohol, n-Butyl

1BO

Butanol, 1-

TRIBUTYL ACETYLCITRATE IMPURITY D (EP IMPURITY)

TRIBUTYL ACETYLCITRATE IMPURITY D [EP IMPURITY]

RCRA waste no. U031

UNII-WB09NY83YA

butaneol

butylalcohol

butan-1-olate,vanadium(4+)

butyl-alcohol

n-butylalcohol

normal butanol

1-butylalcohol

n-Propylcarbinol

n-Butanolbutanolen

nBuOH

1 -butanol

1- butanol

1-n-Butanol

1-Butanol, anhydrous

N-Butyl Alcohol,(S)

1-Butanol, for HPLC

n-Butanol, HPLC grade

1-Butanol, 99%

1-Butanol, HPLC Grade

n-C4H9OH

bmse000447

1-butanol (butyl alcohol)

1-Butanol, 99.9%

BUTYL ALCOHOL [FCC]

WB09NY83YA

BUTYL ALCOHOL [FHFI]

BUTYL ALCOHOL [HSDB]

WLN: Q4

1-butanol (n-butyl alcohol)

1-BUTANOL [USP-RS]

ALCOHOL,BUTYL [VANDF]

BIDD:ER0611

N-BUTYL ALCOHOL [MI]

N-BUTYL ALCOHOL [INCI]

1-Butanol, LR, >=99%

BDBM36173

1-Butanol, anhydrous, 99.8%

DTXSID20172556

N-Butanol, ACS, 99.4+%

N-BUTYL ALCOHOL [WHO-DD]

1-Butanol, AR, >=99.5%

1-Butanol, for HPLC, 99.8%

Butyl alcohol, >=99.9%, FCC

NSC62782

Tox21_111046

Tox21_200741

LMFA05000109

STL264186

AKOS000249218

1-Butanol 500 microg/mL in Methanol

1-Butanol, for HPLC, >=99.7%

DB02145

MCULE-1571156443

Butyl alcohol, >=99.9%, FCC, FG

NCGC00090961-01

NCGC00090961-03

NCGC00258295-01

BP-30034

1-Butanol, SAJ first grade, >=99.0%

1-Butanol, for molecular biology, >=99%

1-Butanol, JIS special grade, >=99.0%

1-Butanol, p.a., ACS reagent, 99.4%

1-Butanol, for HPLC, >=99.8% (GC)

1-Butanol, spectrophotometric grade, 99.5%

1-Butanol, UV HPLC spectroscopic, 99.5%

B0228

B0704

B0944

NS00009227

1-Butanol, anhydrous, ZerO2(TM), 99.8%

EN300-19305

1-Butanol, Ultrapure, Spectrophotometric Grade

Butyl alcohol, natural, >=99.5%, FCC, FG

C06142

D03200

Q16391

F0001-1830

InChI=1/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H

1-Butanol, puriss. p.a., ACS reagent, >=99.5% (GC)

BDBC6468-886D-4F6C-8746-734F2B63E6CE

1-Butanol, ACS reagent, reag. ISO, reag. Ph. Eur., 99.5%

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

1-Butanol, Pharmaceutical Secondary Standard; Certified Reference Material

1-Butanol, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.5% (GC)

The Henry's Law constant for n-butyl alcohol is 8.81X10-6 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that n-butanol 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 3.7 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 29 days(SRC). n-Butyl alcohol's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). n-Butyl alcohol is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 7 mm Hg(3).
Literature: (1) Buttery RG et al; J Agric Food Chem 17: 385-89 (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 Washington, DC: Taylor and Francis (1989)

The measured Koc of n-butyl alcohol is reported as 3.2(1). According to a classification scheme(2), this Koc value suggests that n-butyl alcohol is expected to have very high mobility in soil(SRC).
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-7001 (2006). Supporting information available, as of June 9, 2014: http://pubs.acs.org/doi/suppl/10.1021/es060152f/suppl_file/es060152fsi20060905_091308.pdf (2) Swann RL et al; Res Rev 85: 17-28 (1983)

trans-2-Hexenal

6728-26-3

2-HEXENAL

(E)-Hex-2-enal

Leaf aldehyde

trans-2-Hexen-1-al

(E)-2-HEXENAL

505-57-7

Hex-2-enal

beta-Propyl acrolein

2-trans-Hexenal

Hexylenic aldehyde

Hex-2-en-1-al

trans-Hex-2-enal

2-Hexenal, (E)-

beta-Propylacrolein

2-Hexenal, (2E)-

(2E)-2-Hexenal

3-propyl acrolein

Hexenal

(2E)-hex-2-enal

alpha,beta-Hexylenaldehyde

FEMA No. 2560

3-Propylacrolein

(2e)-hexenal

Trans-?2-?Hexenal

hexen-2-al

MFCD00007008

69JX3AIR1I

DTXSID1041425

trans-2-Hexenal-D2

trans-2-Hexenal-D4

(E)-2-hexen-1-al

2-hexenaldehyde

DTXCID9021425

Hexenal, (E)-

3-propyl-acrolein

hexen-2-en-1-al

CAS-6728-26-3

2-hexenal, E

alpha.beta-Hexylenaldehyd

n-C3H7CH=CHCHO

CCRIS 3508

CCRIS 4565

trans-2-Hexen-1-al, natural, >=95%, FG

2-hexenal, Z-isomer

trans-2-Hexenal (leaf aldehyde)

EINECS 208-014-0

EINECS 229-778-1

UNII-69JX3AIR1I

CHEBI:19591

BRN 1699684

BRN 1740988

AI3-24649

AI3-35157

trans-2-Hexenal (leaf aldehyde) (natural)

trans-2 hexenal

Trans-2-exenal

trans-3-Propylacrolein

(E)-hex--2-enal

4-Hexenal,(4E)-

trans-2-Hexenyl Aldehyde

trans-2-Hexenal, 96%

GREEN LEAF ALDEHYDE

bmse000536

2-HEXENAL [FHFI]

2-HEXENAL, TRANS-

3-01-00-02993 (Beilstein Handbook Reference)

4-01-00-03468 (Beilstein Handbook Reference)

.BETA.-PROPYL ACROLEIN

trans-2-Hexen-1-al, 98%

CHEMBL2228570

CHEBI:28913

FEMA 2560

MBDOYVRWFFCFHM-SNAWJCMRSA-

Tox21_201286

Tox21_303390

LMFA06000002

s6303

(E)-2-HEXEN-1-AL [FCC]

AKOS015899831

.ALPHA.-.BETA.-HEXYLENEALDEHYDE

NCGC00249015-01

NCGC00257483-01

NCGC00258838-01

trans-2-Hexen-1-al, analytical standard

DB-003793

HY-128429

CS-0099263

H0345

NS00012564

trans-2-Hexen-1-al, >=95%, FCC, FG

C08497

EN300-130761

EN300-373462

A828173

A835690

Q209405

Z2941218207

InChI=1/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+

Cedrene

19069-48-8

2,6,6,8-TETRAMETHYLTRICYCLO[5.3.1.0(1,5)]UNDEC-8-ENE

68608-32-2

ALPHA-CEDRENE

Di-epi-.alpha.-cedrene

2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene

1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-

1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, (3R,3aS,7S,8aS)-

1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3R-(3.alpha.,3a.beta.,7.beta.,8a.alpha.)]-

Cedr-8-ene #

DTXSID00859378

CHEBI:167345

MCULE-9345089020

DB-025783

DB-051411

NS00012082

naphthalene

91-20-3

Naphthalin

Albocarbon

Tar camphor

White tar

Naphthene

Naphthaline

Camphor tar

Moth balls

Moth flakes

naphtalene

Dezodorator

Naftalen

Mighty 150

Naphthalinum

RCRA waste number U165

Mighty RD1

naftaleno

naftalina

naphtaline

naphthalen

napthalene

Naphtalinum

Mothballs

Caswell No. 587

NCI-C52904

Naphthalene, pure

NSC 37565

CCRIS 1838

HSDB 184

Naphtalene [ISO:French]

EINECS 202-049-5

NSC-37565

EPA Pesticide Chemical Code 055801

UNII-2166IN72UN

DTXSID8020913

CHEBI:16482

AI3-00278

2166IN72UN

Naphthalene-1,2,3,4-13C4

CHEMBL16293

DTXCID00913

EC 202-049-5

NSC37565

Naphthalene, 99%

MFCD00001742

NCGC00090793-02

287399-39-7

Naphtalene (ISO:French)

NAPHTHALENE (IARC)

NAPHTHALENE [IARC]

NAPHTHALENE (MART.)

NAPHTHALENE [MART.]

Naftalen [Polish]

NAPHTHALENE (USP-RS)

NAPHTHALENE [USP-RS]

68412-25-9

Naphthalene, analytical standard

Naphthalene [BSI:ISO]

C10H8

CAS-91-20-3

Naphthalene, molten

Naphthalene (molten)

UN1334

UN2304

RCRA waste no. U165

NAPHTHALENE (1,2,3,4,5,6,7,8-D8)

Naphthalene, crude or refined

2-naphthalen

1-Naphthalene

2-Naphthalene

Na-Cemmix

Naphthalene,(S)

Naphthalene, 98%

1,4-naphthalenediyl

NAPHTHALENE [MI]

NAPHTHALENE [ISO]

NAPHTHALENE [HSDB]

NAPHTHALENE, REFINED

NAPHTHALINUM [HPUS]

NAPHTHALENE [WHO-DD]

MLS001055498

WLN: L66J

BIDD:ER0665

DTXSID201315549

HMS3039N15

AMY22299

Tox21_111023

Tox21_202004

Tox21_300008

BDBM50159249

Naphthalene, for synthesis, 98.5%

STL282720

AKOS000119977

USEPA/OPP Pesticide Code 055801

MCULE-8231589350

Naphthalene 100 microg/mL in Methanol

UN 1334

UN 2304

Naphthalene 10 microg/mL in Cyclohexane

NCGC00090793-01

NCGC00090793-03

NCGC00090793-04

NCGC00090793-05

NCGC00254058-01

NCGC00259553-01

BS-22320

Naphthalene 10 microg/mL in Acetonitrile

SMR000677944

Naphthalene 100 microg/mL in Acetonitrile

Naphthalene, SAJ first grade, >=98.0%

DB-361346

N0004

N0885

NS00008377

EN300-21626

C00829

D97670

Naphthalene, suitable for scintillation, >=99%

L001166

Naphthalene, molten [UN2304] [Flammable solid]

Q179724

SR-01000854997

Melting point standard 79-81C, analytical standard

SR-01000854997-2

F0001-2217

Naphthalene, certified reference material, TraceCERT(R)

Z104506008

Naphthalene, crude or refined [UN1334] [Flammable solid]

Naphthalene, United States Pharmacopeia (USP) Reference Standard

InChI=1/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8

Naphthalene, Pharmaceutical Secondary Standard; Certified Reference Material

25135-16-4

31807-65-5

72931-45-4

The Henry's Law constant for naphthalene is 4.4X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that naphthalene 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 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)(2) is estimated as 5 days(SRC). In laboratory experiments conducted at room temperature, the volatilization half-life of naphthalene was shown to range from 0.17 hours (depth of water 7.2 cm) to 11.55 hours (depth of water 8.5 cm)(3). Naphthalene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The estimated volatilization half-life for naphthalene from soil is 1.1 days, and 14 days when incorporated at a depth of 1 cm and 10 cm, respectively(4).
Literature: (1) Shiu WY, Mackay D; J Chem Eng Data 42: 951-953 (1997) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Smith JH et al; Chemosphere 10: 281-289 (1981) (4) Jury WA et al; J Environ Qual 13: 573-579 (1984)

The mean Koc value of naphthalene in 17 soils throughout the US was 871(1). The Koc of naphthalene in 5 different soils from Japan ranged from 440-830(2). In a long term field experiment in Uppsala, Sweden, soils were treated with 7 types of amendments and 1 untreated plot, Koc values were 112-680 for naphthalene(3). In a contaminated soil collected from a railway station in Spain, naphthalene had a log Koc of 3.97(4). The mean Koc value of naphthalene in sediment samples from 2 ponds and 1 river from north Georgia, US was 1,300(5). The log Koc value in sediment was 2.84(6). In 76 sediment samples from 7 sites in New York and 1 in North Carolina, naphthalene had log Koc values of 2.45-5.59(7). According to a classification scheme(8), these Koc values suggest that naphthalene is expected to have high to no mobility in soil(SRC).
Literature: (1) Karickoff SW; Chemosphere 10: 833-846 (1981) (2) Kishi H et al; Chemosphere 21: 975-89 (1990) (3) Novoszad M et al; Chemosphere 59: 639-47 (2005) (4) ter Laak TL et al; Environ Sci Technol 40:2184-90 (2006) (5) Karickoff SW et al; Wat Res 13: 241-248 (1979) (6) Beckles DM et al; Environ Toxicol Chem 26: 878-83 (2007) (7) Hawthorne SB et al; Environ Toxicol Chem 25: 2901-11 (2006) (8) 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)

.delta.-Amorphene

FUCYIEXQVQJBKY-CFMCSPIPSA-N

benzaldehyde

100-52-7

Benzoic aldehyde

Phenylmethanal

Benzenecarboxaldehyde

Benzenecarbonal

Benzenemethylal

Benzaldehyde FFC

Benzene carbaldehyde

Benzene carboxaldehyde

benzanoaldehyde

Benzylaldehyde

Benzoyl hydride

NCI-C56133

Benzoic acid aldehyde

FEMA No. 2127

Caswell No. 076

Phenylformaldehyde

Benzaldehyde (natural)

NSC 7917

Benzadehyde

Benzyaldehyde

CCRIS 2376

HSDB 388

NSC-7917

EINECS 202-860-4

UNII-TA269SD04T

Benzaldehyde-carbonyl-13C

Benzaldehyde [NF]

EPA Pesticide Chemical Code 008601

Benzaldehyde-formyl-d

TA269SD04T

Benzaldehyde-alpha-d1

DTXSID8039241

CHEBI:17169

AI3-09931

MFCD00003299

8013-76-1

Benzaldehyde, methyl-

CHEMBL15972

DTXCID90134

NSC7917

EC 202-860-4

Phenylmethanal benzenecarboxaldehyde

Benzaldehyde (NF)

NCGC00091819-01

NCGC00091819-02

BENZALDEHYDE (II)

BENZALDEHYDE [II]

BENZALDEHYDE (MART.)

BENZALDEHYDE [MART.]

benzaldehyd

Benzaldhyde

BENZALDEHYDE (USP IMPURITY)

BENZALDEHYDE [USP IMPURITY]

BDBM50139371

CAS-100-52-7

FENTANYL IMPURITY E (EP IMPURITY)

FENTANYL IMPURITY E [EP IMPURITY]

TRIBENOSIDE IMPURITY C (EP IMPURITY)

TRIBENOSIDE IMPURITY C [EP IMPURITY]

BENZYL ALCOHOL IMPURITY A (EP IMPURITY)

BENZYL ALCOHOL IMPURITY A [EP IMPURITY]

FENTANYL CITRATE IMPURITY E (EP IMPURITY)

FENTANYL CITRATE IMPURITY E [EP IMPURITY]

AMFETAMINE SULFATE IMPURITY D (EP IMPURITY)

AMFETAMINE SULFATE IMPURITY D [EP IMPURITY]

UN1990

BENZALKONIUM CHLORIDE IMPURITY B (EP IMPURITY)

BENZALKONIUM CHLORIDE IMPURITY B [EP IMPURITY]

GLYCOPYRRONIUM BROMIDE IMPURITY F (EP IMPURITY)

GLYCOPYRRONIUM BROMIDE IMPURITY F [EP IMPURITY]

HYDROUS BENZOYL PEROXIDE IMPURITY A (EP IMPURITY)

HYDROUS BENZOYL PEROXIDE IMPURITY A [EP IMPURITY]

benzaidehyde

benzaldehvde

benzaldehye

benzaldeyde

BENZOYLL PEROXIDE HYDROUS IMPURITY A (EP IMPURITY)

BENZOYLL PEROXIDE HYDROUS IMPURITY A [EP IMPURITY]

C7H6O

phenyl-methanone

Benzene methylal

Aromatic aldehyde

Benzoylwasserstoff

(phenyl)methanone

benzenecarbaldehyde

Benzaldehyde,(S)

PhCHO

Benzene carcaboxaldehyde

2vj1

WLN: VHR

BENZALDEHYDE [MI]

SCHEMBL573

BENZALDEHYDE [FCC]

BENZALDEHYDE [FHFI]

BENZALDEHYDE [HSDB]

BENZALDEHYDE [INCI]

BENZALDEHYDE [VANDF]

ghl.PD_Mitscher_leg0.170

BENZALDEHYDE [USP-RS]

Benzaldehyde, AR, >=99%

Benzaldehyde, LR, >=99%

BIDD:ER0249

BDBM60953

Benzaldehyde, analytical standard

Ald3-H_000012

Benzaldehyde, >=98%, FG, FCC

Ald3.1-H_000160

Ald3.1-H_000479

Ald3.1-H_000798

Tox21_113069

Tox21_113244

Tox21_200634

s5574

STL194067

Benzaldehyde, for synthesis, 95.0%

AKOS000119172

Benzaldehyde [UN1990] [Class 9]

CCG-266041

MCULE-7744113682

NA 1989

Benzaldehyde, purum, >=98.0% (GC)

Benzaldehyde, ReagentPlus(R), >=99%

NCGC00091819-03

NCGC00258188-01

PS-11959

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

DB-023673

B2379

Benzaldehyde, SAJ special grade, >=98.0%

NS00008510

Benzaldehyde, Vetec(TM) reagent grade, 98%

Benzaldehyde 1000 microg/mL in Dichloromethane

Benzaldehyde 2000 microg/mL in Dichloromethane

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

C00193

C00261

D02314

A800226

Q372524

SR-01000944375

Benzaldehyde, purified by redistillation, >=99.5%

SR-01000944375-1

F1294-0144

Flavor and Extract Manufacturers' Association No. 2127

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

Benzaldehyde, European Pharmacopoeia (EP) Reference Standard

Benzaldehyde, United States Pharmacopeia (USP) Reference Standard

Benzaldehyde, Pharmaceutical Secondary Standard; Certified Reference Material

The Henry's Law constant for benzaldehyde is 2.67X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that benzaldehyde is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 1.5 days (SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 14 days(SRC). Benzaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzaldehyde is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.27 mm Hg at 25 deg C(3).
Literature: (1) Betterton EA, Hoffmann MR; Environ Sci Technol 22: 1415-8 (1988) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Ambrose D et al; J Chem Therm 7: 1143-57 (1975)

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