Isobornyl acetate

125-12-2

Pichtosin

DTXSID7042061

[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate

exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate

2-Camphanyl acetate

MFCD00135943

Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2R,4R)-rel-

Isobornyl acetate, >=95%

Isobornyl acetate, tech grade

Isobornyl acetate; NSC 62486; Pichtosine; exo-Bornyl acetate

(1S)-2-exo-acetoxy-bornane

SCHEMBL117759

( not+/-)-Isobornyl acetate

KGEKLUUHTZCSIP-JBLDHEPKSA-N

DTXCID501011801

HY-N2583

Tox21_303558

AKOS006281613

NCGC00257423-01

CAS-125-12-2

CS-0022924

NS00079178

W-108405

The Henry's Law constant for isobornyl acetate is estimated as 9.5X10-5 atm-cu m/mole(SRC) developed using a fragment constant estimation method(1). This Henry's Law constant indicates that isobornyl acetate 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 17 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 9.5 days(SRC). Isobornyl acetate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC).Isobornyl acetate has an estimated vapor pressure of 0.11 mm Hg(SRC), determined from a fragment constant method(13) and exists as a liquid under environmental conditions: therefore, isobornyl acetate may volatilize from dry soil(SRC). Isobornyl acetate dissipated within one week when added along with 21 other fragrance materials to a Georgetown, DE anaerobically digested municipal sludge and applied to four soils (sandy agricultural loam, silty midwestern agrigultural loam, high organic carbon soil, and a highly weathered oxide-rich soil)(3).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of isobornyl acetate can be estimated to be 420(SRC). According to a classification scheme(2), this estimated Koc value suggests that isobornyl acetate is expected to moderate mobility in soil(SRC).

ZKZVZEDRTLBKEV-NTCAYCPXSA-N

Acetic acid, 3-(6,6-dimethyl-2-methylenecyclohex-3-enylidene)-1-methylbutyl ester

(3Z)-3-(6,6-Dimethyl-2-methylene-3-cyclohexen-1-ylidene)-1-methylbutyl acetate #

Methyl geranate

1189-09-9

methyl (2E)-3,7-dimethylocta-2,6-dienoate

2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester, (E)-

Methyl (E)-geranate

2349-14-6

Methyl (E)-3,7-dimethylocta-2,6-dienoate

2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester

26YR95MGP2

Geranic acid methyl ester

2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester, (2E)-

E-Methylgeranate

methyl geraniate

Methyl 3,7-dimethyl-2,6-octadienoate

Methyl-trans-geranate

DTXSID4047129

UNII-26YR95MGP2

3,7-Dimethyl-2,6-octadienoic acid methyl ester

EINECS 214-712-6

Methyl trans-geranate

methyl-(E)-geranate

Methyl geranate, AldrichCPR

trans-Geranic acid methyl ester

DTXCID2027129

DTXSID40274147

CHEBI:166666

BAA18909

Tox21_302707

MFCD00036571

NCGC00256733-01

GERANIC ACID METHYL ESTER, TRANS-

CS-0453000

NS00080264

Q27254138

(2E)-3,7-dimethyl-octa-2,6-dienoic acid methyl ester

2,6-OCTADIENOIC ACID, 3,7-DIMETHYL-, METHYL ESTER, TRANS-

Neryl acetate

141-12-8

Nerol acetate

cis-Geranyl acetate

Neryl ethanoate

(Z)-3,7-Dimethylocta-2,6-dien-1-yl acetate

cis-3,7-Dimethyl-2,6-octadien-1-yl acetate

NSC-72031

FEMA No. 2773

Neryl acetate (natural)

2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2Z)-

UNII-OF82IJU18H

2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-

OF82IJU18H

cis-3,7-Dimethyl-2,6-octadien-1-ol acetate

[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate

NERYLACETATE

EINECS 205-459-2

BRN 1722814

2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2Z)-

AI3-35817

DTXSID2047068

3,7-Dimethyl-2,6-octadienyl acetate, (Z)-

CHEBI:141210

(2Z)-3,7-dimethylocta-2,6-dien-1-yl acetate

3,7-Dimethyl-2,6-octadien-1-yl acetate, cis-

2-02-00-00153 (Beilstein Handbook Reference)

3,7-Dimethyl-2,6-octadien-1-yl ethanoate, cis-

MFCD00063205

3,7-Dimethyl-2Z,6-octadienyl acetate

Geranyl acetate, cis-

cis-1-acetoxy-3,7-dimethyl-2,6-octadiene

(2Z)-3,7-Dimethyl-2,6-octadienyl acetate

Acetic acid neryl ester

NERYL ACETATE [FCC]

NERYL ACETATE [FHFI]

SCHEMBL236190

Neryl acetate, natural, 90%

CHEMBL2268549

DTXCID0027068

Neryl acetate, analytical standard

16409-44-2

NSC72031

Tox21_301974

BDBM50036947

LMFA07010194

s9373

Neryl acetate, >=98%, FCC, FG

AKOS016009834

2, 3,7-dimethyl-, acetate, (Z)-

CCG-266557

CS-W015699

HY-W014983

NCGC00256089-01

AS-68365

CAS-141-12-8

DB-321111

cis-1-acetoxy-3,7-dimethyl-octa-2,6-diene

N0463

NS00075631

(2Z)-3,7-Dimethyl-2,6-octadienyl acetate #

A885701

cis-3,7-Dimethyl-2,6-octadien-1-yl acetate, 98%

Q1368877

130396-85-9

Farnesyl acetate

4128-17-0

29548-30-9

trans,trans-Farnesyl acetate

All-trans-Farnesyl acetate

(2E,6E)-Farnesyl acetate

[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate

3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate

(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate

Farnesyl acetate, (2E,6E)-

(E,E)-farnesyl acetate

D5ZJ1FOC2I

2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate, (E,E)-

2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, 1-acetate

DTXSID5047110

trans-2-trans-6-Farnesyl acetate

2,6,10-dodecatrien-1-ol, 3,7,11-trimethyl-, acetate, (2E,6E)-

UNII-D5ZJ1FOC2I

DTXSID2047222

farneoylacetate

((2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL) ACETATE

trans2,trans6-Farnesyl acetate

E,E-Farnesyl Acetate

(E)-Farnesyl acetate

Farnesyl acetate, (E,E)-

(cis,trans)-Farnesyl acetate

trans, trans-Farnesyl acetate

CHEMBL3184169

DTXCID0027222

DTXCID3027110

(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate

2-trans-6-trans-Farnesyl acetate

CHEBI:186251

(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol acetate

(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl acetate

trans,trans-Farnesyl acetate, 95%

Tox21_302688

Tox21_303761

LMFA07010230

MFCD00036516

NSC132958

s6150

AKOS025295075

AKOS037646546

NSC-132958

NCGC00256905-01

NCGC00356962-01

AS-69473

CAS-4128-17-0

CAS-29548-30-9

HY-128430

CS-0099265

FEMA NO. 4213, (2E,6E)-

NS00114121

3,11-Trimethyl-2,6,10-dodecatrienyl acetate

J-500791

2,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate

3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate

Q27276136

[(E,E)-3,7,11-Trimethyl-2,6,10-dodecatriene-1-yl]ester of acetic acid

2,6,10-DODECATRIEN-1-OL, 3,7,11-TRIMETHYL-, 1-ACETATE, (2E,6E)-

InChI=1/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12

Y7R

3,5,5-Trimethylcyclohex-3-en-1-yl acetate

22463-33-8

EINECS 245-017-6

AI3-34004

3-Cyclohexen-1-ol, 3,5,5-trimethyl-, acetate

SCHEMBL11607148

DTXSID60945145

NS00049547

3,5,5-Trimethyl-cyclohex-3-en-1-yl acetate

Carvyl acetate, (1S,5S)-

76704-28-4

XG4Z2952GE

P-Mentha-6,8-dien-2-ol acetate

UNII-XG4Z2952GE

2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R-cis)-

(1S-cis)-2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl acetate

EINECS 278-527-2

(-)-cis-Carvyl Acetate

5-Isopropenyl-2-methyl-2-cyclohexen-1-yl acetate #

p-Mentha-6,8-dien-2-ol, acetate, (2R,4R)-(-)-

(1S,5S)-carvyl acetate

(+)-CIS-CARVYL ACETATE

SCHEMBL20485658

CHEBI:201796

[(1S,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate

2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1S-cis)-

NS00089329

p-Mentha-6,8-dien-2-ol, acetate, cis-L-

Q27293827

2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1S,5S)-

2-CYCLOHEXEN-1-OL, 2-METHYL-5-(1-METHYLETHENYL)-, 1-ACETATE, (1S,5S)-

CITRONELLYL VALERATE

7540-53-6

Citronellyl pentanoate

3,7-dimethyloct-6-enyl pentanoate

Pentanoic acid, 3,7-dimethyl-6-octen-1-yl ester

Pentanoic acid, 3,7-dimethyl-6-octenyl ester

3,7-Dimethyloct-6-enyl valerate

3,7-Dimethyl-6-octen-1-yl valerate

FEMA No. 2317

3,7-Dimethyl-6-octen-1-yl pentanoate

43TPH8V20B

Valeric acid, 3,7-dimethyl-6-octen-1-yl ester

3,7-dimethyloct-6-en-1-yl pentanoate

UNII-43TPH8V20B

EINECS 231-416-2

AI3-24388

SCHEMBL310419

FEMA 2317

DTXSID00864088

CHEBI:171851

CITRONELLYL VALERATE [FHFI]

(+/-)-CITRONELLYL VALERATE

LMFA07010819

CITRONELLYL VALERATE, (+/-)-

E469

DB-254260

NS00047107

Q27258668

Citronellyl propionate

141-14-0

Citronellyl propanoate

6-Octen-1-ol, 3,7-dimethyl-, propanoate

3,7-dimethyloct-6-enyl propanoate

6-Octen-1-ol, 3,7-dimethyl-, 1-propanoate

3,7-Dimethyl-6-octen-1-yl propionate

6-Octen-1-ol, 3,7-dimethyl-, propionate

FEMA No. 2316

3,7-Dimethyl-6-octen-1-ol propanoate

3,7-Dimethyl-6-octen-1-yl propanoate

3,7-Dimethyloct-6-en-1-yl propionate

(1)-3,7-Dimethyloct-6-enyl propionate

Citronellyl propianoate

Citronellyl n-proprionate

Propionic acid, ester with citronellol

DTXSID8047187

87R1092U7J

3,7-dimethyloct-6-en-1-yl propanoate

94086-40-5

(+)-3,7-Dimethyloct-6-enyl propionate

Citronellyl propionate (natural)

EINECS 205-461-3

EINECS 278-466-1

AI3-24358

UNII-87R1092U7J

Propionic acid, ester with citronellol (6CI)

SCHEMBL396918

6-Octen-1-ol, 3,7-dimethyl-, propionate (7CI,8CI)

CHEMBL3185956

DTXCID6027187

FEMA 2316

CHEBI:171788

3,7-dimethyloct-6-enyl propionate

3,7-Dimethyl-6-octenyl propionate

CITRONELLYL PROPIONATE [FCC]

EINECS 301-827-2

Tox21_302679

CITRONELLYL PROPIONATE [FHFI]

LMFA07010820

(+/-)-CITRONELLYL PROPIONATE

3,7-Dimethyl-6-octenyl propionate #

3,7-Dimethyloct-6-en-1-ylpropionate

AKOS015910710

MCULE-9460712409

CITRONELLYL PROPIONATE, (+/-)-

NCGC00256674-01

AS-76187

CAS-141-14-0

E410

6-Octen-1-ol,3,7-dimethyl-,1-propanoate

Citronellyl propionate, >=95%, FCC, FG

DB-042554

NS00012118

E79168

Q27269839

BORNYL ACETATE

92618-89-8

Isobornyl acetate

Borneol, acetate

1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate

5655-61-8

Bornyl acetic ether

2-Camphanol acetate

1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate

125-12-2

L-(-)-Bornyl acetate

endo-2-Camphanyl ethanoate

bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate

D,L-Isobornyl Acetate

Acetic acid, 1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yl ester

endo-bornyl acetate

MFCD00867808

exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate

NSC-407158

NCGC00159354-02

1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate #

endo-(1S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate

SCHEMBL117760

(+)-Acetic acid bornyl ester

CHEMBL1439452

DTXSID80859098

HMS3264P09

Pharmakon1600-01502510

BBL033932

NSC163480

NSC407158

NSC759844

STK079562

AKOS005392232

CCG-213841

MCULE-5021705670

NSC-163480

NSC-759844

NCGC00159354-03

NCGC00159354-06

NCI60_020169

VS-12345

DB-066148

DB-072157

CS-0313797

NS00009276

AB01563199_01

1,7-Trimethylbicyclo[2.2.1]heptan-2-ol acetate

SR-01000944256

SR-01000944256-1

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate

Bicyclo[2.2.1]heptan-2-ol,7,7-trimethyl-, acetate, endo-

endo-(1R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate

[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate

Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-,2-acetate,(1S,2R,4S)-

The Henry's Law constant for isobornyl acetate is estimated as 9.5X10-5 atm-cu m/mole(SRC) developed using a fragment constant estimation method(1). This Henry's Law constant indicates that isobornyl acetate 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 17 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 9.5 days(SRC). Isobornyl acetate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC).Isobornyl acetate has an estimated vapor pressure of 0.11 mm Hg(SRC), determined from a fragment constant method(13) and exists as a liquid under environmental conditions: therefore, isobornyl acetate may volatilize from dry soil(SRC). Isobornyl acetate dissipated within one week when added along with 21 other fragrance materials to a Georgetown, DE anaerobically digested municipal sludge and applied to four soils (sandy agricultural loam, silty midwestern agrigultural loam, high organic carbon soil, and a highly weathered oxide-rich soil)(3).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of isobornyl acetate can be estimated to be 420(SRC). According to a classification scheme(2), this estimated Koc value suggests that isobornyl acetate is expected to moderate mobility in soil(SRC).

DIHYDROACTINIDIOLIDE

17092-92-1

Actinidiolide, dihydro-

2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (7aR)-

(R)-DIHYDROACTINIDIOLIDE

2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (R)-

O3M4862R3R

NSC 357087

R-DIHYDROACTINIDIOLIDE

UNII-O3M4862R3R

DIHYDROACTINIDIOLIDE, (-)-

NSC-357087

(7aR)-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one

(R)-4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one

dihydroactinidolide

R-(-)Dihydro actinidiolide

D-DIHYDROACTINIDIOLIDE

SCHEMBL2186328

(-)-DIHYDROACTINIDIOLIDE

CHEMBL2271637

DTXSID801028845

DIHYDROACTINIDIOLIDE (R)-FORM

MFCD20926295

s3962

AKOS028109299

CCG-266435

SB45270

DIHYDROACTINIDIOLIDE (R)-FORM [MI]

HY-107805

CS-0030680

E77016

A811266

Q5276417

W-108036

5,6,7,7a-Tetrahydro-4,4-7a-trimethyl-2-(4H)-benzofuranone

2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl- (VAN)

4,4,7a-Trimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one, (R)-

(7aR)-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one;Dihydroactinidiolide

ETHYL CROTONATE

623-70-1

10544-63-5

ethyl (E)-but-2-enoate

2-Butenoic acid, ethyl ester, (2E)-

Ethyl trans-2-butenoate

Ethyl trans-crotonate

Ethyl (E)-crotonate

2-Butenoic acid, ethyl ester

Crotonic acid, ethyl ester

ethyl (2E)-but-2-enoate

Crotonic acid, ethyl ester, (E)-

Ethyl (E)-2-butenoate

2-Butenoic acid, ethyl ester, (E)-

Ethyl crotonate (E)

FEMA No. 3486

trans-2-Butenoic acid ethyl ester

(E)-Ethyl but-2-enoate

(E)-ethyl crotonate

(E)-2-Butenoic acid ethyl ester

Ethyl 2-butenoate

99YUC7A1X1

Crotonic acid ethyl ester

(E)-but-2-enoic acid ethyl ester

Ethylester kyseliny krotonove

Crotonate d'ethyle, (E)-

Ethyl 2-butenoate, (E)-

Ethyl (2E)-2-butenoate

NSC 4778

EINECS 210-808-7

EINECS 234-125-9

UN1862

Ethylester kyseliny krotonove [Czech]

(E)-CH3CH=CHCOOC2H5

alpha-Crotonic acid ethyl ester, (E)-

BRN 0635834

BRN 1720418

NSC4778

UNII-99YUC7A1X1

AI3-05622

Trans-ethylcrotonate

ethyl trans crotonate

Ethyl crotonate, 96%

Ethyl crotonate, 99%

Crotonate d'ethyle, E-

crotonic-acid-ethyl-ester

Ethyl(E)-but-2-enoate

SCHEMBL24483

77825-56-0

Ethyl (2E)-2-butenoate #

ETHYL CROTONATE [FHFI]

ETHYL-(E)-2-BUTENOATE

ETHYL-TRANS-2-BUTENOATE

CHEMBL3273403

DTXSID5057591

ETHYL TRANS-2-BUTENOATE-

CHEBI:173393

trans-but-2-enoic acid ethyl ester

BBL027753

MFCD00009289

STL146343

AKOS005721070

CROTONIC ACID ETHYL ESTER [MI]

ETHYL-(E)-2-BUTENOATE [FCC]

Ethyl trans-2-butenoate, >=96%, FG

TRANS-2-BUTENOIC ACID ETHYLESTER

.alpha.-Crotonic acid ethyl ester, trans-

DB-029759

Ethyl 2-butenoate; Ethyl (E)-2-butenoate

NS00075573

EN300-344919

Ethyl crotonate [UN1862] [Flammable liquid]

Ethyl trans-2-butenoate, natural, >=97%, FG

A801242

A833743

J-502032

Q1141618

Z2327209524

InChI=1/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3

Ethyl salicylate

ETHYL 2-HYDROXYBENZOATE

118-61-6

Sal ethyl

Mesotol

Salotan

Salicylic ether

Benzoic acid, 2-hydroxy-, ethyl ester

Ethyl o-hydroxybenzoate

Salicylic acid, ethyl ester

Salicylic ethyl ester

2-Hydroxybenzoic acid ethyl ester

o-(Ethoxycarbonyl)phenol

Sal ether

Salicyclic acid, ethyl ester

FEMA No. 2458

NSC 8209

Benzoic acid, hydroxy-, ethyl ester

MFCD00002215

555U6TZ2MV

DTXSID1021958

CHEBI:88839

NSC-8209

NCGC00181161-01

NCGC00181161-02

NCGC00181161-03

1321-50-2

DTXCID601958

CAS-118-61-6

EINECS 204-265-5

BRN 0907659

ethylsalicylate

UNII-555U6TZ2MV

Salstan

AI3-00513

Ethyl salicyclate

Ethyl salicylate, 99%

2-hydroxyethylbenzoic acid

Salicylic Acid Ethyl Ester

WLN: QR BVO2

SCHEMBL39622

2-ETHOXYCARBONYLPHENOL

4-10-00-00149 (Beilstein Handbook Reference)

ETHYL SALICYLATE [MI]

ETHYL SALICYLATE [FCC]

ETHYL SALICYLATE [FHFI]

CHEMBL2251610

FEMA 2458

ETHYL SALICYLATE [MART.]

NSC8209

ETHYL SALICYLATE [WHO-DD]

2-hydroxy-benzoic acid ethyl ester

Tox21_112764

Tox21_113454

Ethyl salicylate, analytical standard

STK397384

AKOS000120529

Tox21_112764_1

AM10831

DB15576

DS-6424

Ethyl salicylate, >=99%, FCC, FG

MCULE-4696992338

NS00012461

S0011

EN300-16108

D70269

METHYL SALICYLATE IMPURITY F [EP IMPURITY]

Q408120

SR-01000944712

J-003857

SR-01000944712-1

Z53833295

F0001-0297

InChI=1/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H

3,4-Bis(methoxycarbonyl)benzoic acid

54699-35-3

1,2,4-benzenetricarboxylic acid 1,2-dimethyl ester

SCHEMBL820141

3,4-dicarbomethoxybenzoic acid

1,2,4-Benzenetricarboxylic acid, 1,2-dimethyl ester

benzene-1,2,4-tricarboxylic acid-1,2-dimethyl ester

CHEBI:87385

KUQGJFOIULVBKJ-UHFFFAOYSA-N

DTXSID201334250

3,4-bis(methoxycarbonyl)-benzoic acid

3,4-Bis(methoxycarbonyl)benzoic acid #

Q27159579

Pentane, 1-acetoxy-2-isocyano-4-methyl-

QKYKFVLZUMSESL-UHFFFAOYSA-N

Methyl L-alaninate

(S)-methyl 2-aminopropanoate

10065-72-2

Alanine methyl ester

methyl (2S)-2-aminopropanoate

L-Alanine, methyl ester

methyl alaninate

(S)-alanine methyl ester

alanine methylester

Ala-OMe

EINECS 233-201-9

H-Ala-OMe

D-ALANYL ESTER

(L)-Ala-OMe

H2N-(L)-Ala-OMe

Methyl 2-aminopropanoate #

(S)-methyl2-aminopropanoate

SCHEMBL72838

(+)-L-Alanine methyl ester

CHEMBL590283

L-.alpha.-Alanine methyl ester

DTXSID40905646

AKOS016843082

MCULE-1665306037

DB-187583

NS00082506

NS00082529

EN300-54729

Q27463019

gamma-Valerolactone

108-29-2

4-Pentanolide

4-Valerolactone

5-methyldihydrofuran-2(3H)-one

5-methyloxolan-2-one

4-Hydroxypentanoic acid lactone

gamma-Pentalactone

4-Hydroxyvaleric acid lactone

2(3H)-Furanone, dihydro-5-methyl-

4-Methyl-gamma-butyrolactone

NSC 33700

gamma-Methyl-gamma-butyrolactone

4-Methyl-4-hydroxybutanoic acid lactone

DIHYDRO-5-METHYL-2(3H)-FURANONE

.gamma.-Valerolactone

5-Methyltetrahydro-2-furanone

FEMA No. 3103

2(3H)-Furanone, dihydr-5-methyl-

.gamma.-Methyl-.gamma.-butyrolactone

gamma-Pentanolactone

.gamma.-Pentalactone

Valeric acid, 4-hydroxy-, gamma-lactone

MFCD00005400

CHEMBL195593

4-Methyl-.gamma.-butyrolactone

DTXSID0047618

CHEBI:48569

5-Methyldihydro-2(3H)-furanone

Dihydro-5-methylfuran-2(3H)-one

O7056XK37X

NSC-33700

Valeric acid, 4-hydroxy-, .gamma.-lactone

Pentanoic acid, 4-hydroxy-, .gamma.-lactone

Pentanolide-1,4

gamma-Valeryllactone

gamma-Valerolakton

gamma-Valerolakton [Czech]

CCRIS 3597

EINECS 203-569-5

BRN 0080420

5-methyltetrahydrofuran-2-one

y-Valerolactone

Pentanoic acid, 4-hydroxy-, gamma-lactone

UNII-O7056XK37X

AI3-04327

gamma -Valerolactone

.gamma.-Valerolakton

.gamma.-Pentanolactone

4-Methyl-g-butyrolactone

SCHEMBL37255

Dihydro-5-methyl-2-furanone

5-17-09-00024 (Beilstein Handbook Reference)

57129-69-8

5-methyl-dihydro-furan-2-one

DTXCID8027618

Pentanoic acid, .gamma.-lactone

GAMMA-VALEROLACTONE [FCC]

(.+/-.)-4-Methylbutyrolactone

(.+/-.)-.gamma.-Valerolactone

(RS)-.GAMMA.-PENTALACTONE

NSC33700

(3-Amino-pyridin-2-yl)-aceticacid

5-Methyldihydro-2(3H)-furanone #

dihydro-5-methyl-2(3H)-furanone,

Tox21_302624

BBL011475

BDBM50168010

LMFA07040008

STL146587

.GAMMA.-VALEROLACTONE [FHFI]

AKOS005206963

gamma-Valerolactone,delta-Valerolactone

CS-W016654

DS-4944

HY-W015938

MCULE-3014789527

gamma-Valerolactone, analytical standard

4,5-Dihydro-5-methyl-2(3H)-furanone

gamma-Valerolactone, >=99%, FCC, FG

gamma-Valerolactone, natural, 95%, FG

NCGC00256671-01

BP-31066

CAS-108-29-2

SY011304

(+/-)-.GAMMA.-METHYLBUTYROLACTONE

DB-003681

gamma-Valerolactone, ReagentPlus(R), 99%

NS00013327

V0007

EN300-61318

4-HYDROXYPENTANOIC ACID .GAMMA.-LACTONE

P20539

A895293

Q845530

2(3H)-Furanone, dihydro-5-methyl-, (.+/-.)-

gamma-Valerolactone, Vetec(TM) reagent grade, 98%

J-002085

F0001-0163

Z963595138

(R)-gamma-Methyl-gamma-butyrolactone;(R)-Dihydro-5-methyl-2(3H)-furanone

4,5-Dihydro-5-methyl-2(3H)-furanone~4-Hydroxypentanoic acid lactone~gamma-Pentanolactone

219630-19-0

gamma-Heptalactone

105-21-5

4-Heptanolide

5-propyloxolan-2-one

gamma-Heptanolactone

2(3H)-Furanone, dihydro-5-propyl-

Heptan-4-olide

1,4-Heptanolide

Heptanolide-4,1

4-Hydroxyheptanoic acid lactone

gamma-Propiobutyrolactone

Dihydro-5-propyl-2(3H)-furanone

gamma-Propyl-gamma-butyrolactone

(+/-)-4-Heptanolide

5-propyldihydrofuran-2(3h)-one

.gamma.-Heptalactone

.gamma.-Heptanolactone

FEMA No. 2539

4-Hydroxyheptanoic acid, gamma-lactone

NSC 46097

4-Propyl-4-hydroxybutanoic acid lactone

5-propyl-2-oxolanone

U4XIN3U7DH

.gamma.-Propiobutyrolactone

CHEMBL365316

DTXSID5047611

CHEBI:89744

Dihydro-5-propylfuran-2(3H)-one

.gamma.-Propyl-.gamma.-butyrolactone

MFCD00036498

NSC-46097

NSC-46352

(+/-)-gamma-Propyl-gamma-butyrolactone

4-Hydroxyheptanoic acid, .gamma.-lactone

(+/-)-Dihydro-5-propyl-2(3H)-furanone

Heptanoic acid, 4-hydroxy-, .gamma.-lactone

gamma-Heptalactone (natural)

EINECS 203-279-9

UNII-U4XIN3U7DH

BRN 0109569

5-propyltetrahydrofuran-2-one

gamma-Oenantholacton

.gamma.-Heptanolide

gamma-Enanthonolactone

5-propyldihydrofuran-2-one

SCHEMBL891524

5-Propyl-dihydro-furan-2-one

DTXCID3027611

GAMMA-HEPTALACTONE [FCC]

5-propyl-tetrahydro-furan-2-one

NSC46097

NSC46352

.GAMMA.-HEPTALACTONE [FHFI]

5-Propyldihydro-2(3H)-furanone #

Tox21_302676

BDBM50168009

LMFA07040012

AKOS015905123

TETRAHYDRO-5-PROPYL-2-FURANONE

gamma-Heptalactone, >=98%, FCC, FG

NCGC00256923-01

AS-61574

CAS-105-21-5

DA-19666

DB-040600

CS-0152400

H0510

NS00012513

D90888

EN300-322414

A801165

ENANTHIC ACID, .GAMMA.-HYDROXY-, LACTONE

W-108792

Q24730325

57129-71-2

Gamma-undecalactone

104-67-6

5-Heptyldihydrofuran-2(3H)-one

4-Undecanolide

2(3H)-Furanone, 5-heptyldihydro-

Undecanoic gamma-lactone

Undecan-4-olide

Peach aldehyde

5-heptyloxolan-2-one

Persicol

1,4-Undecanolide

Peach lactone

5-Heptyldihydro-2(3H)-furanone

Aldehyde C-14 peach

gamma-Undecanolactone

4-Hydroxyundecanoic acid lactone

.gamma.-Undecalactone

FEMA No. 3091

Aldehyde C14

.gamma.-n-Heptylbutyrolactone

NSC 406421

5-Heptyl-dihydro-furan-2-one

.gamma.-Undecalatone

.gamma.-Undecanolide

57084-17-0

xi-gamma-Undecalactone

.gamma.-Undecanolactone

MFCD00005405

QB1T0AG2YL

.gamma.-Heptylbutyrolactone

CHEMBL195827

DTXSID4034287

CHEBI:89362

5-Heptyl-dihydrofuran-2(3H)-one

.gamma.-Heptyl-.gamma.-butyrolactone

NSC-46118

NSC-76413

NSC-406421

4-Hydroxyundecanoic acid, .gamma.-lactone

Undecanoic acid, 4-hydroxy-, .gamma.-lactone

WLN: T5OVTJ E7

gamma-Undecanolide

1,4-Hendecanolide

Undecanoic acid, .gamma.-lactone

gamma-Heptyl-gamma-butyrolactone

gamma-n-Heptylbutyrolactone

gamma-Undekalakton

gamma-Undekalakton [Czech]

gamma-Undecalactone (natural)

CCRIS 1425

EINECS 203-225-4

UNII-QB1T0AG2YL

BRN 0081943

g-Undecalactone

AI3-00751

Undecanoic acid, 4-hydroxy-, gamma-lactone

Dihydro-5-heptyl-2(3H)-furanone

Undecanolide-1,4

.gamma.-Undekalakton

Undecanoic ?-lactone

undecylene methyl lactone

Undecanoic gamma -lactone

GAMMA UNDECALACTONE

UNDECALACTONE GAMMA

Undecanoic .gamma.-lactone

EC 203-225-4

SCHEMBL113498

Undecanoic gamma-lactone, 99%

DTXCID2014287

PHXATPHONSXBIL-UHFFFAOYSA-

4- hydroxyundecanoic acid lactone

GAMMA-UNDECALACTONE [FCC]

GAMMA-UNDECALACTONE [INCI]

HMS1786B22

(RS)-.GAMMA.-UNDECALACTONE

NSC46118

NSC76413

5-Heptyldihydro-2(3H)-furanone #

Tox21_300063

BDBM50168011

LMFA07040030

NSC406421

.GAMMA.-UNDECALACTONE [FHFI]

AKOS001076126

(+/-)-.GAMMA.-UNDECALACTONE

CS-W016994

HY-W016278

MCULE-9018416843

gamma-Undecalactone, analytical standard

gamma-Undecalactone, >=98%, FCC, FG

NCGC00164025-01

NCGC00164025-02

NCGC00254148-01

BS-14211

CAS-104-67-6

SY011229

DB-040554

NS00076562

U0003

EN300-05986

D70490

gamma-Undecalactone, natural (US), >=98%, FG

J-001223

Q24734376

Z90120148

InChI=1/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3

104-61-0

Gamma-nonalactone

gamma-Nonanolactone

5-pentyldihydrofuran-2(3H)-one

5-pentyloxolan-2-one

2(3H)-Furanone, dihydro-5-pentyl-

Prunolide

gamma-Nonanolide

Nonan-1,4-olide

Cocos aldehyde

Coconut aldehyde

4-Nonanolide

1,4-Nonalolide

4-Pentyl-butanolide

Aldehyde C-18

DIHYDRO-5-PENTYL-2(3H)-FURANONE

FEMA No. 2781

gamma-Nonanoic lactone

rac-gamma-Nonanolactone

.gamma.-Nonalactone

.gamma.-n-Amylbutyrolactone

I1XGH66S8P

delta-n-Amylbutyrolactone

CHEMBL191935

DTXSID0034229

Dihydro-5-pentylfuran-2(3H)-one

MFCD00005403

NSC-24253

NSC-46099

apricolin

4-Hydroxynonanoic acid, .gamma.-lactone

4-Nonalactone

gamma-Nonylactone

gamma-Nonyllactone

Nonan-4-olide

82373-92-0

gamma-Pelargolactone

1,4-Nonyl lactone

FEMA Number 2781

gamma-N-Amylbutyrolactone

gamma-Amyl-gamma-butyrolactone

gamma-Pentyl-gamma-butyrolactone

HSDB 5360

EINECS 203-219-1

4-Amyl-4-hydroxybutyric acid lactone

4-Hydroxynonanoic acid, gamma-lactone

UNII-I1XGH66S8P

Nonanoic acid, 4-hydroxy-, gamma-lactone

AI3-02457

?-Nonalactone

4-Pentylbutanolide

.gamma.-Nonalacton

.gamma.-Nonanolide

?-Nonanoic lactone

4-Hydroxynonanoic acid gamma-lactone

NSC 24253

NSC 46099

gamma-Pelargonolactone

.gamma.-Nonanolactone

NONYL LACTONE

gamma -Nonanoic lactone

(r/s)-gamma-nonalactone

.gamma.-Amylbutyrolactone

.gamma.-Nonanoic lactone

5-Pentyl-.gamma.-lactone

EC 203-219-1

gamma-Nonanoic lactone, 97%

SCHEMBL112484

4-Hydroxynonanoic acid lactone

5-Pentyl-dihydro-furan-2-one

GAMMA-NONALACTONE [FCC]

DTXCID8014229

GAMMA-NONALACTONE [INCI]

5-pentyl-tetrahydro-furan-2-one

OALYTRUKMRCXNH-UHFFFAOYSA-

(.+/-.)-.gamma.-Nonalactone

5-Pentyldihydro-2(3H)-furanone

Dihydro-5-pentyl-2(3H)-furanon

.gamma.-Amyl-.gamma.-butyrolactone

.GAMMA.-NONALACTONE [FHFI]

NSC24253

NSC46099

(3H)-Dihydro-5-pentyl-2-furanone

5-Pentyldihydro-2(3H)-furanone #

Tox21_301039

BBL027520

BDBM50167995

LMFA07040021

STL373781

AKOS015904806

CS-W017997

DS-3247

MCULE-8658118167

DELTA-N-AMYLBUTYROLACTONE [HSDB]

gamma-NONALACTONE (ALDEHYDE C-18)

NCGC00164129-01

NCGC00164129-02

NCGC00254941-01

CAS-104-61-0

gamma-Nonanoic lactone, >=98%, FCC, FG

gamma-Nonanoic lactone, natural, 98%, FG

N0285

Nonanoic acid, 4-hydroxy-, .gamma.-lactone

NS00076561

D70273

EN300-342288

gamma-Nonalactone, analytical reference material

J-001202

Q11255995

Z1255430984

InChI=1/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3

57084-16-9

The Henry's Law constant for dihydro-5-pentyl-2(3H)-furanone is estimated as 1.7X10-4 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that dihydro-5-pentyl-2(3H)-furanone 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 10 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 7 days(SRC). Dihydro-5-pentyl-2(3H)-furanone is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.2X10-2 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 30, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm

In water, 1201 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 30, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Literature: #Soluble in alcohol, most fixed oils, propylene glycol; 1:1 in 60% alcohol
Literature: Burdock, G.A. (ed.). Fenaroli's Handbook of Flavor Ingredients. 6th ed.Boca Raton, FL 2010, p. 1480
Literature: #Soluble in five volumes of 50% alcohol; soluble in most fixed oils and mineral oil; practically insoluble in glycerol
Literature: Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 906

Using a structure estimation method based on molecular connectivity indices(1), the Koc of dihydro-5-pentyl-2(3H)-furanone can be estimated to be 120(SRC). According to a classification scheme(2), this estimated Koc value suggests that dihydro-5-pentyl-2(3H)-furanone is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 30, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)