Phosphosulfurized alpha-pinene

ALPHA-PINENEPOLYMER

alphapinene

GRWFGVWFFZKLTI-UHFFFAOYSA-N

Cyclic dexadiene

alpha-Pinene, phosphosulfurized

Pinene isomer

alpha pinene

ALPHA-PINENE

Sylvapine A

Acintene A

Acitene A

Wilt Pruf

Alpha Pinene PF

DL-ALPHA-PINENE

2-Pinene

PINENE, ALPHA

1R-alpha-Pinene

AC1L1N0D

alpha-pinene, pinene

alpha-Pinene(dextro)

1R-a-Pinene

.alpha.-Pinene

alpha-Pinene (natural)

NSC7727

pin-2-ene

UN2368

CCRIS 697

CTK5E7908

HMDB06525

HSDB 720

CHEMBL442565

NSC94522

NSC94523

PC 500

alpha [D] Pinene

alpha [L] Pinene

C09880

BT000143

DTXSID4026501

FEMA Number 2902

LS-2348

NSC 7727

NSC-7727

OR038360

OR246844

OR249294

Pinene, .alpha.

SBB060477

UN 2368

1R-.alpha.-Pinene

1S-.alpha.-Pinene

CHEBI:36740

DSSTox_CID_6501

AN-19420

AN-19426

AN-42193

DSSTox_GSID_26501

NSC-94522

NSC-94523

SC-18193

DSSTox_RID_78126

PINENE, ALPHA (D)

PINENE, ALPHA (L)

AI3-24594

ST51046656

AKOS000121239

Q-201582

(+)-a-Pinene

BRN 3194807

FEMA No. 2902

FT-0604379

FT-0604414

FT-0622197

FT-0698080

pin-2(3)-ene

(R)-.alpha.-Pinene

80-56-8

(+-)-alpha-pinene

Tox21_110996

Tox21_200108

Tox21_303385

1R-(+)-alpha-pinene

alpha-Pinene, phosphorus pentasulfide reaction product (4:1)

DL-Pin-2(3)-ene

CAS-80-56-8

1R-(+)-a-pinene

MCULE-3589656574

NCGC00090682-01

NCGC00090682-02

NCGC00257379-01

NCGC00257662-01

(+-)-2-pinene

(+/-)-alpha-Pinene

EINECS 201-291-9

EINECS 219-445-9

EINECS 267-032-7

25766-18-1

39388-04-0

39423-40-0

50815-61-7

53569-35-0

56833-58-0

57762-87-5

67762-73-6

68411-25-6

72510-05-5

102640-64-2

103657-08-5

459844-87-2

alpha-Pinene [UN2368] [Flammable liquid]

(+/-)-2-Pinene

MolPort-003-926-536

(1R)-(+)-a-Pinene

(+)-Pin-2(3)-ene

2,6-Trimethylbicyclo[3.1.1]-2-heptene

(.+/-.)-.alpha.-Pinene

2,6,6-Trimethylbicyclo(3.1.1)hept-2-ene

2,6,6-Trimethylbicyclo[3.1.1]-2-heptene

2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene

4,6,6-trimethylbicyclo[3.1.1]hept-3-ene

4,6,6-Trimethylbicyklo(3,1,1)hept-3-en

Bicyclo[3.1.1]hept-2-ene,6,6-trimethyl-

2,6-Trimethylbicyclo[3.1.1]-2-hept-2-ene

2,6,6-trimethyl-Bicyclo(3.1.1)hept-2-ene

2,6,6-trimethyl-bicyclo[3.1.1]hept-2-ene

2-Pinene, (1S,5S)-(-)-

2,6,6-Trimethyl bicyclo-(3,1,1)-2 heptene

Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl

Bicyclo[3.1.1]hept-2-ene,2,6,6-trimethyl-

2,6,6-Trimethylbicyclo(3.1.1)-2-hept-2-ene

4,6,6-Trimethylbicyklo(3,1,1)hept-3-en [Czech]

Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, phosphosulfurized

Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-

Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-

(1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene

(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene

Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, homopolymer

Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R)-

Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-

Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (.+/-.)-

The Henry's Law constant for alpha-pinene is estimated as 0.29 atm-cu m/mole(SRC) derived from its vapor pressure, 4.75 mm Hg(1), and water solubility, 2.49 mg/L(2). This Henry's Law constant indicates that alpha-pinene 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 5 days(SRC). alpha-Pinene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of alpha-pinene from dry soil surfaces may exist based upon a vapor pressure of 4.75 mm Hg(1).
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) Li J, Perdue EM; Physicochemical properties of selected monoterpenes. Pre-print extended abstract, Presented before the Division of Environmental Chemistry, Amer. Chem. Soc., Anaheim, CA, April 2-7, 1995 (1995) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

ALMOST INSOLUBLE IN PROPYLENE GLYCOL & GLYCERINE
Literature: Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 486
Literature: #Sol in alcohol, chloroform, ether, glacial acetic acid, fixed oils
Literature: Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 10th ed. Volumes 1-3 New York, NY: John Wiley & Sons Inc., 1999., p. 2970
Literature: #In water, 2.49 mg/L at 25 deg C
Literature: Li J, Perdue EM; Physicochemical Properties of Selected Monoterpenes. Pre-print Extended Abstract, Presented Before The Division of Environmental Chemistry, Amer Chem Soc, Anaheim, Ca: April 2-7 (1995)

The Koc of alpha-pinene is estimated as 2,600(SRC), using a water solubility of 2.49 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that alpha-pinene is expected to have slight mobility in soil.
Literature: (1) Li J, Perdue EM; Physicochemical properties of selected monoterpenes. Pre-print extended abstract, Presented before the Division of Environmental Chemistry, Amer. Chem. Soc., Anaheim, CA, April 2-7, 1995 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Duodecane

DODECANE

SNRUBQQJIBEYMU-UHFFFAOYSA-N

Dihexyl

lauryl

dodecan

Bihexyl

Dodekan

Dodecane, analytical standard

N-Dodecan

n-Dodecane

Normal Paraffin M

D12

AC1L1QG7

Adakane 12

Undecane, methyl-

Norpar 13

U215

KSC175C3D

NSC8714

CHEMBL30959

Dodecane, 99%

CCRIS 661

S0284

CTK0H5131

D0968

n-Dodecan [German]

HSDB 5133

Dodecane, certified reference material, TraceCERT(R)

Dodecane, anhydrous, >=99%

11A386X1QH

C08374

WLN: 12H

LP003955

LP086061

NSC 8714

NSC-8714

STL280320

Jsp000956

DTXSID0026913

UNII-11A386X1QH

ZINC1531085

C12-14-alkanes

DSSTox_CID_6913

C12-n-alkane;

CHEBI:28817

DSSTox_GSID_26913

ANW-16463

AN-22698

LS-63438

DA-16704

SC-78851

EBD2203394

TRA0025406

DSSTox_RID_78250

UNII-FW7807707B component SNRUBQQJIBEYMU-UHFFFAOYSA-N

MFCD00008969

LMFA11000004

ACN-034829

RTR-002427

TR-002427

CH3(CH2)10CH3

AKOS015904160

Alkanes, C10-14

J-002767

FT-0625568

Dodecane, ReagentPlus(R), >=99%

BRN 1697175

I14-17881

Tox21_303615

112-40-3

I14-107531

Dodecane, technical, >=90% (GC)

NCGC00257481-01

MCULE-3947157412

NCGC00166012-01

CH3-[CH2]10-CH3

EINECS 203-967-9

EINECS 297-629-8

EINECS 300-199-7

CAS-112-40-3

Ba 51-090453

n-Dodecane, 99% 100ml

93924-07-3

93685-81-5

EC 300-199-7

MolPort-001-783-725

Density Standard 749 kg/m3, H&D Fitzgerald Ltd. Quality

Hydrocarbons, C4, 1,3-butadiene-free, polymd., triisobutylene fraction, hydrogenated

1310FACD-F2BF-4FD7-BC20-B21DF06EDE79

4-01-00-00498 (Beilstein Handbook Reference)

InChI=1/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H

The Henry's Law constant for dodecane is estimated as 8.2 atm-cu m/mole(SRC) derived from its vapor pressure, 0.135 mm Hg(1), and water solubility, 3.7X10-3 mg/L(2). This Henry's Law constant indicates that dodecane 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 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)(3) is estimated as 5 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 32 days if adsorption is considered(4). Dodecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Dodecane is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Kertes AS; Hydrocarbons with Water and Seawater Part II. Hydrocarbons C8 to C31. Solubility Data Series Vol 38. Shaw PC, ed., London, UK: Pergamon Press, 553 pp (1989) (2) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng. New York, NY: Hemisphere Pub Corp 5 Vol (1994) (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)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of dodecane can be estimated to be 4800(SRC). According to a classification scheme(2), this estimated Koc value suggests that dodecane is expected to have slight mobility in soil. In a study conducted to mimic a spill of 1.27 L/sq m, dodecane (present in JP-4 jet fuel) was transported to a depth of 10 cm; at the end of the study (134 days), it was no longer detected(3). In another study, it was determined that dodecane is slowly intercalated into well dried montmorillonite clay(4).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Aug 25, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Ross WD et al; Environmental Fate and Biological Consequences of Chemicals Related to Air Force Activities. NTIS AD-A121 288/5. Dayton, OH: Monsanto Res Corp. pp. 173 (1982) (4) Eltantawy IM, Arnold PW; Nature (London) Phys Sci 237: 123-25 (1972)

Benzenecarboxylate

Carboxypolystyrene

Benzenemethanoate

Benzeneformate

Carboxybenzene

benzenecarboxylic acid

Benzenemethanoic acid

Benzoesaeure

phenylcarboxy

Phenylcarboxylic acid

Phenylformate

Benzenemethonic acid

Benzoicacid

Benzeneformic acid

Diacylate

Dracylate

Kyselina benzoova

phenylformic acid

Retardex

Tennplas

WPYMKLBDIGXBTP-UHFFFAOYSA-N

Acide benzoique

Aromatic carboxylic acid

Benzoesaeure GK

Benzoesaeure GV

Acido benzoico

Aromatic acid

Benzoic acid,medicinal

Diacylic acid

Dracylic acid

Oracylic acid

Phenyl carboxylic acid

ScavengePore™ benzoic acid

benzoic acid

Benzoic acid Natural

BOX

Natural Benzoic Acid

Retarded BA

Retarder BA

Retarder BAX

Salvo liquid

Salvo powder

Solvo powder

Unisept BZA

Flowers of benjamin

Flowers of benzoin

phenyl formic acid

Sodium benzoic acid

Tenn-Plas

1gyx

1kqb

Benzoic Acid USP

Benzoic acid, analytical standard

MP Benzoic acid

8SKN0B0MIM

Benzoesaeure [German]

CHEMBL541

Salvo, liquid

Solvo, powder

AC1L18SV

AC1Q73KP

Benzoic acid, meets USP testing specifications

BENZOIC ACID, ACS

Benzoic acid, ammonium salt

Benzoic acid, tech

C7H6O2

HA 1

NSC149

SCHEMBL1378

UNII-8SKN0B0MIM

WLN: QVR

Acide benzoique [French]

Acido benzoico [Italian]

E210

K073

KSC352Q8R

Kyselina benzoova [Czech]

ZINC1011

ACMC-1BI02

ARONIS27062

Benzoate (VAN)

Benzoic acid (natural)

Benzoic acid / Benzoate

NSC7918

B0062

B2635

BENZOIC ACID- D5

Benzoic acid, pharmaceutical secondary standard; traceable to USP

CTK2F2888

HMDB01870

HSDB 704

AS04617

Benzoic acid, tech.

BIDD:ER0597

DB03793

LS-280

LS41489

NE10192

NSC 149

NSC-149

RL04514

SAMPL4, O1

BDBM197302

Benzoic acid (TN)

BENZOIC ACID,99%,EXTRA PURE

bmse000300

C00180

C00539

CCRIS 1893

D00038

DSSTox_CID_143

E 210

HMS2092F18

HMS2267D03

HMS3652B03

AK109354

Benzoic acid [USAN:JAN]

Benzoic acid, European Pharmacopoeia (EP) Reference Standard

BS-3752

BT000118

DTXSID6020143

NSC758203

OR033950

OR320218

OR321743

SBB040515

STK301730

A835250

Benzoic acid [USP:JAN]

CHEBI:30746

PHENYL, 4-CARBOXY-

4CN-0999

AB1002068

AI3-0310

AJ-07949

AN-22195

AN-23749

ANW-35104

ANW-44013

Benzoic acid, United States Pharmacopeia (USP) Reference Standard

BP-30148

DSSTox_GSID_20143

KB-75310

SC-46861

TRA0015745

TRA0068106

Caswell No. 081

DSSTox_RID_75396

MFCD00002398

MFCD03456189

AI3-03710

Benzoic acid, purified by sublimation, >=99%

CCG-213088

DB-029471

HA 1 (acid)

NSC-758203

RT-004576

RTR-032704

ST24030107

ST45061539

TR-035735

AKOS000119619

Benzoic acid (JP17/USP)

Benzoic acid, AR, >=99%

Benzoic acid, LR, >=99%

Benzoic acid, tested according to Ph.Eur.

EPA Pesticide Chemical Code 009101

Epitope ID:139965

I01-1943

Z57127480

Benzoic acid, Standard for quantitative NMR, TraceCERT(R)

FEMA No. 2131

FT-0622705

MLS002415717

SMR001252220

65-85-0

Tox21_202403

Tox21_300180

Benzoic acid, ReagentPlus(R), 99%

F2191-0092

CAS-65-85-0

Melting point standard 121-123C, analytical standard

8013-63-6

Benzoic acid (7CI,8CI,9CI)

Benzoic acid, ACS reagent, >=99.5%

MCULE-4467353796

NCGC00091886-01

NCGC00091886-02

NCGC00091886-03

NCGC00254112-01

NCGC00259952-01

AB00949635_05

AB00949635_06

EINECS 200-618-2

Benzoic acid, 99% 250g

Benzoic acid, SAJ special grade, >=99.5%

Pharmakon1600-01503001

606-EP2269610A2

606-EP2269988A2

606-EP2270002A1

606-EP2270006A1

606-EP2270008A1

606-EP2270009A1

606-EP2270010A1

606-EP2270011A1

606-EP2270114A1

606-EP2272822A1

606-EP2272827A1

606-EP2272848A1

606-EP2274983A1

606-EP2275105A1

606-EP2275401A1

606-EP2275413A1

606-EP2277507A1

606-EP2277848A1

606-EP2277867A2

606-EP2277870A1

606-EP2277879A1

606-EP2277881A1

606-EP2280003A2

606-EP2280010A2

606-EP2281559A1

606-EP2281563A1

606-EP2281812A1

606-EP2281819A1

606-EP2281823A2

606-EP2284146A2

606-EP2284147A2

606-EP2284149A1

606-EP2284160A1

606-EP2284165A1

606-EP2284169A1

606-EP2284178A2

606-EP2284179A2

606-EP2286795A1

606-EP2287153A1

606-EP2287156A1

606-EP2287161A1

606-EP2287162A1

606-EP2287165A2

606-EP2287166A2

606-EP2289510A1

606-EP2289876A1

606-EP2289883A1

606-EP2289890A1

606-EP2292592A1

606-EP2292597A1

606-EP2292617A1

606-EP2292619A1

606-EP2292620A2

606-EP2292621A1

606-EP2292624A1

606-EP2295401A2

606-EP2295402A2

606-EP2295416A2

606-EP2295418A1

606-EP2295424A1

606-EP2295426A1

606-EP2295427A1

606-EP2295429A1

606-EP2295433A2

606-EP2295438A1

606-EP2295550A2

606-EP2298734A2

606-EP2298735A1

606-EP2298742A1

606-EP2298744A2

606-EP2298748A2

606-EP2298755A1

606-EP2298758A1

606-EP2298759A1

606-EP2298772A1

606-EP2298776A1

606-EP2298783A1

606-EP2301536A1

606-EP2301538A1

606-EP2301911A1

606-EP2301924A1

606-EP2301925A1

606-EP2301929A1

606-EP2301931A1

606-EP2301935A1

606-EP2301937A1

606-EP2301939A1

606-EP2301940A1

606-EP2305250A1

606-EP2305257A1

606-EP2305646A1

606-EP2305651A1

606-EP2305659A1

606-EP2305662A1

606-EP2305664A1

606-EP2305668A1

606-EP2305669A1

606-EP2305672A1

606-EP2305674A1

606-EP2305675A1

606-EP2305679A1

606-EP2305687A1

606-EP2308833A2

606-EP2308839A1

606-EP2308848A1

606-EP2308851A1

606-EP2308854A1

606-EP2308857A1

606-EP2308858A1

606-EP2308861A1

606-EP2308865A1

606-EP2308873A1

606-EP2308875A1

606-EP2308877A1

606-EP2311455A1

606-EP2311801A1

606-EP2311802A1

606-EP2311803A1

606-EP2311807A1

606-EP2311809A1

606-EP2311810A1

606-EP2311811A1

606-EP2311815A1

606-EP2311816A1

606-EP2311817A1

606-EP2311818A1

606-EP2311831A1

606-EP2311842A2

606-EP2314295A1

606-EP2314579A1

606-EP2314584A1

606-EP2314588A1

606-EP2314593A1

606-EP2316457A1

606-EP2316458A1

606-EP2316459A1

606-EP2316825A1

606-EP2316826A1

606-EP2316827A1

606-EP2316828A1

606-EP2316836A1

606-EP2371814A1

606-EP2371831A1

606-EP2372017A1

606-EP2374788A1

606-EP2377845A1

Benzoic acid, SAJ first grade, >=99.5%

Benzoic acid, Vetec(TM) reagent grade, 98%

SR-05000001919

117500-35-3

331473-08-6

SBI-0206720.P001

MolPort-000-871-563

Benzoic acid, >=99.5%, FCC, FG

S4161,65-85-0

Benzoic acid, p.a., 99.5%

SR-05000001919-1

Benzoic acid, NIST(R) SRM(R) 39j, calorimetric standard

S4162,121-54-0

Benzoic acid, natural, >=99.5%, FCC, FG

Benzoic acid on polystyrene, 1.6-2.1 mmol/g

Benzoic acid, for calorimetrical determination (approx. 26460 J/g)

Benzoic acid, USP, 99.5-100.5%

0BE368DC-6DE6-4927-AECF-E4BB2968A4A0

Benzoic acid, puriss. p.a., ACS reagent, 99.9%

Benzoic acid，4-fluoro-2,6-dimethyl-， methyl ester

Benzoic acid, certified reference material for titrimetry, certified by BAM according to ISO 17025, >=99.5%

Mettler-Toledo Calibration substance ME 18555, Benzoic acid, analytical standard, for the calibration of the thermosystem 900, traceable to primary standards (LGC)

Benzoic acid, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99.9% (alkalimetric)

ScavengePore(TM) benzoic acid, macroporous, 40-70 mesh, extent of labeling: 0.5-1.5 mmol per g loading

Carboxypolystyrene, 100-200 mesh, extent of labeling: 0.5-1.5 mmol/g loading, 1 % cross-linked

Carboxypolystyrene, 100-200 mesh, extent of labeling: 1.6-3.0 mmol/g loading, 1 % cross-linked

Benzoic acid, meets analytical specification of Ph. Eur., BP, USP, FCC, E210, 99.5-100.5% (alkalimetric)

InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9

A pKa of 4.20(1) indicates benzoic acid will exist almost entirely in the ionized form at pH values of 5 to 9 and, therefore, volatilization from water or moist soil surfaces is not expected to be an important fate process. Benzoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 7.0X10-4 mm Hg at 25 deg C(2).
Literature: (1) Haynes WM, ed; CRC Handbook of Chemistry and Physics. 91st ed. Boca Raton, FL: CRC Press Inc., p 8-47 (2010) (2) McEachern DM, Sandoval O; J Phys E 6: 155-161 (1973)

Koc of benzoic acid is estimated as 15(SRC), using a log Kow of 1.87(1) and a regression-derived equation(2). An experimental log Koc of 1.50 (Koc = 31) has been reported, test details not available(3). According to a classification scheme(4), these Koc values suggest that benzoic acid is expected to have very high mobility in soil. The pKa of benzoic acid is 4.20(5), indicating that this compound will exist in anion form in the environment and anions generally do not adsorb more strongly to organic carbon and clay than their neutral counterparts(6). Freundlich adsorption constants of 0.23, 0 and 0 were reported using Ersum sandy till (pH 4.7; 0.25% OC), Tirstrup melt water sand (pH 6.1; 0.09% OC) and Djursland clayey till (pH 7.6; 0.22% OC), respectively, at 6 deg C. Soils were collected in North Sealand and Djursland, Jutland(7). Benzoic acid displayed negligible adsorption when using a montmorillonite (Volclay bentonite, Upton WY) clay(8).
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. 29 (1995) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Aug 19, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Schuurmann G et al; Environ Sci Technol 40: 7005-11 (2006) (4) Swann RL et al; Res Rev 85: 17-28 (1983) (5) Haynes WM, ed; CRC Handbook of Chemistry and Physics. 91st ed. Boca Raton, FL: CRC Press Inc., p 8-47 (2010) (6) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (7) Loekke H; Water Air Soil Pollut 22: 373-87 (1984) (8) Bailey GW et al; Soil Sci Soc Amer Proc 32: 222-34 (1968)

Dodecylfluoride

fluorododecane

YHYBNVZCQIDLSQ-UHFFFAOYSA-N

Dodecyl fluoride

1-fluoranyldodecane

1-FLUORODODECANE

n-Dodecyl fluoride

AC1L1TAG

1-dodecyl fluoride

1-fluoro-dodecane

ACMC-20aouy

PC3134

CTK1C4973

SCHEMBL318325

SBB090835

LP001986

DTXSID6074706

Dodecane, 1-fluoro-

1-Fluorododecane, 98%

ACM334689

C-5345

ZINC2040783

A821788

LS-63486

KB-84797

ZX-AP002491

MFCD00013580

C-51445

TR-014003

DB-048416

AKOS007930497

J-019203

FT-0607782

BRN 1738884

I14-29967

334-68-9

MCULE-3563531940

EINECS 206-381-1

MolPort-001-773-628

4-01-00-00500 (Beilstein Handbook Reference)

benzisothiazolone

Benzocil

DMSMPAJRVJJAGA-UHFFFAOYSA-N

Proxel

XBINX

Acticide BIT

Canguard BIT

Denicide BIT

IPX

Nipacide BIT

benzisothiazoline-3-one

Proxel AB

Proxel BD

Proxel BDN

Proxel CF

Proxel GXL

Proxel PL

Proxel Press Paste

Proxel TN

AC1Q6DWD

Benzisothiazolin-3-one

benzoisothiazol-3-one

C7H5NOS

Apizas AP-DS

San-aibac AP

1,2-Benzisothiazolone

1,2-Benzothiazolinone

AC1L2A5K

AC1Q6H1E

Proxel LV-S

Proxel Press Paste D

Canguard BIT 20DPG

HRA0F1A4R3

Proxel Ultra 5

Bestcide 200K

Bioban BIT 20DPG

BIT 10W

Denicide BIT 20N

KSC201Q7J

Nipacide BIT 10W

Preventol BIT 20D

Proxel HL 2

Proxel XL 2

Acticide BW 20

BIT 20

Canguard Ultra BIT 20LE

Nipacide BIT 20

Nuosept 485

Nuosept 491

Nuosept 495

Proxel GXL(S)

PubChem15685

SCHEMBL26078

Topcide 600

UNII-HRA0F1A4R3

B2430

BDBM46658

CTK1A1874

Parmetol B 70

Parmetol D 11

Proxel BD 20

ACMC-209u7v

Benzo[d]isothiazol-3-ol

Benzo[d]isothiazol-3-one

CHEMBL297304

NE11261

SD 202

Troysan 1050

2,3-Dihydrobenzisothiazol-3-one

B66088

CCRIS 6369

HMS1755P21

HMS2706H20

HSDB 8271

Koralone B 119

1,2-BIT

3-Hydroxy-1,2-benzisothiazole

AC-2653

BC210059

Benzisothiazol-3(2H)-one

DTXSID5032523

FS-3163

HE000966

HE264717

Jsp005181

SCHEMBL5586024

1,2-Benzisothiazoline-3-one

1,2-benzoisothiazolin-3-one

1,2-Benzoisothiazoline-3-one

A818398

M-4954

ZINC2581983

1,2-benzisothiazole-3-one

1,2-Benzisothiazolin-3-one

1,2-Benzoisothiazol-3-one

AB0008332

AB1001358

AJ-43052

AK-46705

AN-13744

ANW-43433

BR-46705

Caswell No. 079A

Caswell No. 513A

cid_17520

DSSTox_GSID_32523

LS-33607

SC-15324

TL8002104

1,2-BENZISOTHIAZOL-3-ONE

CHEBI:167099

DSSTox_CID_12523

DSSTox_RID_78967

MFCD00044001

1,2-benzothiazol-3-one

AM20060449

DB-027306

ST51051514

AKOS001062434

AKOS030227972

EPA Pesticide Chemical Code 098901

Epitope ID:115004

I01-0074

SD 202 (bactericide)

W-107178

Z56983154

MLS000771034

REGID_for_CID_17520

SMR000344133

Benzo[d]isothiazol-3(2H)-one

EN300-17679

Tox21_300489

F0288-0100

2634-33-5

MCULE-3257757873

NCGC00164206-01

NCGC00248077-01

NCGC00254467-01

1,2-Benzisothiazol-3(2H)-one

1,2-benzoisothiazol-3(2H)-one

EINECS 220-120-9

1,2-BENZISOTHAZOL-3(2H)-ONE

40991-37-5

54392-14-2

75037-67-1

CAS-2634-33-5

1,2-Benzisothiazol-3(2H)-one, analytical standard

101964-01-6

2,3-dihydro-3-oxo-1,2-benzisothiazole

552320-00-0

919284-21-2

2,3-dihydro-1,2-benzothiazol-3-one

MolPort-000-002-044

MolPort-023-219-636

1094749-54-8

AE-562/40151878

MLS-0254244.0001

1,2-Benzisothiazol-3(2H)-one, 97%

InChI=1/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9

The Henry's Law constant for 1,2-benzisothiazoline-3-one is estimated as 5X10-10 atm-cu m/mole(SRC) derived from its vapor pressure, 2.78X10-6 mm Hg(1), and water solubility, 1100 mg/L(1). This Henry's Law constant indicates that 1,2-benzisothiazoline-3-one is expected to be essentially nonvolatile from water surfaces(2). 1,2-Benzisothiazoline-3-one's estimated Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). 1,2-benzisothiazoline-3-one is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) European Commission; Opinion on Benzisothiazolinone, SCCS/1482/12, Scientific Committee on Consumer Safety, June 26-27, 2012. Available from, as of July 21, 2015: http://ec.europa.eu/health/scientific_committees/consumer_safety/docs/sccs_o_099.pdf (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 1,2-benzisothiazoline-3-one can be estimated to be 34(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1,2-benzisothiazoline-3-one is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of July 21, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Benzeneacetamide

Phenylacetamide

alpha-Phenylacetamide

alpha-toluimidicacid

benzene-acetamide

LSBDFXRDZJMBSC-UHFFFAOYSA-N

phenyl acetamide

alpha-Toluamide

Phenyl-beta-acetylamine

beta-Phenyl-acetylamine

Phenylacetic acid amide

alpha-Toluimidic acid

2-PHENYLACETAMIDE

AC1Q4ZKY

.alpha.-Phenylacetamide

2-phenyl-Acetamide

2-phenyl-acetamid

AC1L1PB9

.alpha.-Toluamide

AC1Q5J76

KSC177K0L

Phenyl-.beta.-acetylamine

Acetamide, 2-phenyl

PubChem13418

NSC1877

SCHEMBL25676

.alpha.-Toluimidic acid

CTK0H7505

P0120

5R219M9TJF

HMDB10715

2-Phenylacetamide(alpha-)

(-)-benzeneacetamide

(alpha-)2-Phenylacetamide

(+)-benzeneacetamide

CHEMBL347645

LS11701

RP20210

ACT04844

UNII-5R219M9TJF

ZINC394644

C02505

NSC 1877

ZB012401

DTXSID1059282

NSC-1877

OR009770

SBB017634

Jsp000387

Acetamide, 2-phenyl-

M-5023

ACMC-20989e

CHEBI:16562

AC-24581

AJ-21405

SC-19149

CJ-03622

ST2410197

AK-45803

ANW-14976

LS-10119

BR-45803

KB-25916

MFCD00059193

ZINC00394644

GNF-PF-1199

DB-021492

AI3-19421

TR-000884

ST50409801

RTR-000884

(+/-)-benzeneacetamide

Z33546508

Q-200316

I01-1991

AKOS001215073

FT-0613318

F1084-0941

103-81-1

4463-20-1

MCULE-8226590608

EINECS 203-147-0

MolPort-000-158-181

97240-EP2289892A1

97240-EP2305688A1

46AFC744-1FF7-4816-B1C1-7C9995F369E8

InChI=1/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10

tert-Butylhydroxytoluene

BKZXZGWHTRCFPX-UHFFFAOYSA-N

LT9E3VZD1C

AC1Q2G5K

AC1L28GL

UNII-LT9E3VZD1C

KSC490K6R

2-tertbutyl-6-methylphenol

CHEMBL29790

1250AB

ACMC-209fti

SCHEMBL56224

B0728

o-tert-Butyl-o-cresol

CTK3J0568

NSC78461

6-tert-Butyl-2-methylphenol

6-tert-Butyl-o-cresol

2-tert-Butyl-6-methylphenol

2-Methyl-6-tert-butylphenol

OR012809

2-methyl-6-t-butylphenol

DTXSID4047468

2-t-butyl-6-methylphenol

STL453581

A816009

ZINC1718847

CJ-29166

CJ-06844

DSSTox_GSID_47468

FCH1117845

NSC 78461

NSC-78461

TRA0052400

CC-11949

AJ-30930

AK-87717

AN-20766

ANW-24772

AX8019459

MFCD00002239

2-tert-Butyl-6-methyl-phenol

BDBM50409548

DSSTox_RID_82368

DSSTox_CID_27468

C-33408

ST51052146

KB-176091

LS-104172

ST24027669

RTR-010458

TR-010458

AI3-26294

I01-6987

W-109762

Phenol,1-dimethylethyl)-6-methyl-

AKOS015890403

BRN 1862362

FT-0613422

o-Cresol, 6-tert-butyl-

2-(tert-Butyl)-6-methylphenol

Tox21_302562

NCGC00256916-01

Phenol, 2-tert-butyl-6-methyl-

2219-82-1

MCULE-4483448704

EINECS 218-734-7

2-(1,1-dimethylethyl)-6-methylphenol

2-tert-Butyl-6-methyl-phenol, 99%

CAS-2219-82-1

MolPort-001-792-007

o-Cresol, 6-tert-butyl- (8CI)

Phenol, 2-(1,1-dimethylethyl)-6-methyl-

4-06-00-03396 (Beilstein Handbook Reference)

2-tert-Butyl-6-methyl-phenol, purum, >=98.0% (GC)

InChI=1/C11H16O/c1-8-6-5-7-9(10(8)12)11(2,3)4/h5-7,12H,1-4H

Methylnonylacetaldehyde

Methylnonylacetic aldehyde

NFAVNWJJYQAGNB-UHFFFAOYSA-N

Methyl-n-nonylacetaldehyde

methyl-nonyl-acetaldehyde

Methyl nonyl acetaldehyde

2-Methylhendecanal

2-Methylundecanal

2-METHYLUNDECYL ALDEHYDE

Methyl n-nonyl acetaldehyde

Methyl nonyl acetic aldehyde

AC1Q2VYH

AC1Q6PMC

2-methyl Undecanal

Methyl n-nonyl acetic aldehyde

AC1L1UE6

SCHEMBL22700

Aldehyde M.N.A

CTK0H8054

Aldehyde C-12

NSC46127

methyl nonyl acetaldehyde, methylundecanal, aldehyde C12

2-Methyl-1-undecanal

Aldehyde C-12 mna

LS-2965

LP001981

DTXSID9047629

UNDECANAL, 2-METHYL-

STL373574

CHEMBL3182849

Aldehyde M.N.A.

BBL027630

SBB060149

STOCK1N-73273

DSSTox_GSID_47629

NSC 46127

CC-11557

NSC-46127

KB-69071

AN-22603

DSSTox_CID_27629

C-30877

DSSTox_RID_82461

ST51046385

AI3-03960

DB-040918

W-109404

BB_SC-09892

AKOS009159277

2-Methylundecanal, >=94%, FCC

FEMA No. 2749

BRN 1758291

I14-17855

Tox21_302620

110-41-8

MCULE-7485962352

NCGC00256900-01

Aldehyde C-12, M.N.A

EINECS 203-765-0

CAS-110-41-8

Aldehyde C-12, M.N.A.

135026-96-9

MolPort-001-792-102

Sesquiphellandrene

PHWISBHSBNDZDX-UHFFFAOYSA-N

.beta.-Sesquiphellandrene

AC1LAT18

CTK1A3472

LP079959

(-)-.beta.-Sesquiphellandrene

20307-83-9

1,3(15),10-Bisabolatriene

3-(6-methylhept-5-en-2-yl)-6-methylidenecyclohexene

3-(1,5-Dimethyl-4-hexenyl)-6-methylene-1-cyclohexene

2-methyl-6-(4-methylidene-1-cyclohex-2-enyl)hept-2-ene

3-(6-METHYLHEPT-5-EN-2-YL)-6-METHYLIDENECYCLOHEX-1-ENE

3-((1S)-1,5-Dimethyl-4-hexenyl)-6-methylene-1-cyclohexene, (3R)-

Cyclohexene, 3-(1,5-dimethyl-4-hexenyl)-6-methylene-, (S-(R*,S*))-

Cyclohexene, 3-(1,5-dimethyl-4-hexenyl)-6-methylene-, [S-(R*,S*)]-

Dihydroxydimethylsilane

DIMETHYLSILANEDIOL

Polydimethylsiloxane, silanol terminated

Dimethylsilanediol #

XCLIHDJZGPCUBT-UHFFFAOYSA-N

dihydroxy(dimethyl)silane

Silanediol, dimethyl-

MOT8IL21AR

AC1L22XW

4MJ9GU3T1P

UNII-MOT8IL21AR

RKI3S914RT

OSA9UP217S

M2HW98ZA4V

UNII-M2HW98ZA4V

UNII-4MJ9GU3T1P

UNII-RKI3S914RT

UNII-OSA9UP217S

T74O12AN6Y

Si(OH)2Me2

UNII-T74O12AN6Y

Poly(dimethylsiloxane), silanol terminated, reactive silicone emulsion in water

R2285D73YT

343C7U75XW

DTXSID2061434

OR035383

OR198745

UNII-343C7U75XW

UNII-R2285D73YT

CHEBI:23816

MFCD19441445

Silanediol, 1,1-dimethyl-

ZINC195751456

AKOS028110543

FT-0660913

(CH3)2Si(OH)2

Dimethiconol (140000 MW)

Dimethiconol (100000 cst)

1066-42-8

EINECS 213-915-7

31692-79-2

196616-86-1

18090-13-6 (di-Na salt)

18268-74-1 (di-K salt)