Chemical Composition Of Ambrette Seed Oil Omi1

CHEMICAL COMPOSITION OF AMBREETE SEED OIL ABELMOSCHUS MOSCHATUS MEDIKUS Instrument: GCMS Shimadzu QP2010 (Japan) Library database: Wiley7.Lib; Nist27.Lib; Nist147.Lib; Szterp.Lib Sample: Ambrette seed oil supplied by SECOIN CO., LTD. Sample code: OMI1 Source tree: Abelmoschus moschatus Medikus (Indonesia) Operators: Dr. Nguyen thi Minh Tu (EDC-Hanoi University of Technology) Date: 27 August 2007 Technically Interpreted by: SECOIN CO., LTD.

No.

IUPAC name & preferred common names (*)

Content (%)

CAS #

1

(2-tertiobutylcyclohexyl acetate 2?); (2-tertbutylcyclohexyl) acetate; 2-tert-butylcyclohexyl acetate 2; Grumex; Verdox; o-t-Butylcyclohexyl acetate; 2-tButylcyclohexyl acetate; 2-tert-butylcyclohexyl acetate 1; o-tert-Butylcyclohexyl acetate; 2-tert-Butylcyclohexyl acetate; 2-tert-Butylcyclohexanol acetate;

15.82

N/A

Molec. Formula/ Weight (g/mol)

C12H22O2/ 198.302

Structural Formula

Notes

Wiley7.Lib

Wiley7.Lib; An

2

2-phenylethanol; Benzeneethanol;Phenethyl alcohol;Phenylethyl alcohol;Benzyl carbinol; Phenylethanol;Phenethanol;Benzylcarbinol;Benzylmetha nol;2-PHENYLETHANOL;Methanol, benzyl-;

10.21

60-12-8 1321-27-3

C8H10O/ 122.164

antimicrobial, antiseptic, and disinfectant that is used also as an aromatic essence and preservative in pharmaceutics and perfumery

1

3

2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol; Terpineol;alpha-TERPINEOL;Terpenol;p-Menth-1-en-8ol;alpha-Terpinenol;DL a-terpineol;Terpineol schlechthin;CARVOMENTHENOL;dl-alphaTerpineol;.alpha.-Terpineol; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-;

9.45

98-55-5 37195-01-0, 68540-43-2, 7785-53-7, 8000-41-7, 8006-39-1, 8031-32-1

4

(3R)-3,7-dimethyloct-6-en-1-ol; citronellol; betaCitronellol;(R)-(+)-Citronellol;(+)-beta-Citronellol;(R)(+)-beta-Citronellol;(R)-3,7-Dimethyl-6-octen-1-ol;(R)3,7-Dimethyloct-6-en-1-ol;

6.74

106-22-9 1117-61-9

C10H20O/ 156.265

Wiley7.Lib

6.70

32210-23-4 104-05-2, 10411-92-4, 1900-69-2

C12H22O2/ 198.302

Nist147.Lib

6.39

84-66-2 68988-18-1

C12H14O4/ 222.237

Nist27.Lib

5.77

78-70-6 22564-99-4

C10H18O/ 154.249

Wiley7.Lib

5

6

7

(4-tert-butylcyclohexyl) acetate; Vertenex;4-tertButylcyclohexyl acetate;p-tert-Butylcyclohexyl acetate;4-t-Butylcyclohexyl acetate;p-tert-Butyl cyclohexyl acetate;4-tert-Butyl cyclohexyl acetate;4-tertButylcyclohexanol acetate;4-tert butylcyclohexyl acetate 1;4-tert-butylcyclohexyl acetate 2; diethyl benzene-1,2-dicarboxylate; DIETHYL PHTHALATE; Neantine;Phthalol;Solvanol;Anozol;Ethyl phthalate;Palatinol A;Placidol E;Unimoll DA;Diethylphthalate; 3,7-dimethylocta-1,6-dien-3-ol; Linalool;betaLinalool;Linalol;.beta.-Linalool;allo-Ocimenol;pLinalool;L-Linalool;( )-linalool;LINALYL ALCOHOL;(S)-Linalol;

C10H18O/ 154.249

Nist27.Lib

2

8

9

10

11

12

13

phenylmethyl acetate; benzyl acetate; BENZYL ACETATE; Benzyl ethanoate; Acetic acid, benzyl ester; alpha-Acetoxytoluene; Phenylmethyl acetate; Phenylmethyl ethanoate; Acetic acid, phenylmethyl ester; .alpha.-Acetoxytoluene; Acetic acid benzyl ester; (4-methyl-1-propan-2-yl-1-cyclohex-2-enyl) acetate; Terpinyl acetate; alpha-Terpineol acetate; alphaTerpineol, acetate; Terpinyl acetate (natural); ALPHATERPINYL ACETATE; p-Menth-1-en-8-yl acetate; pMenth-1-en-8-ol, acetate; 1-methyl-4-propan-2-ylidenecyclohexan-1-ol; 1methyl-4-propan-2-ylidene-cyclohexan-1-ol; gamma-Terpineol; .gamma.-Terpineol; TERPINEOL, GAMMA; Cyclohexanol, 1-methyl-4-(1methylethylidene)-; 1-Methyl-4-(1methylethylidene)cyclohexan-1-ol; 1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen2-yl)ethanone; Versalide; Polycyclic musk; Musk 36A; AETT; Acetylethyltetramethyltetralin; NSC15342; EINECS 201-817-7; NSC 15342; STK024307; ZINC01706901; 3-(4-tert-butylphenyl)butanal; Lilial; Lilyal; EINECS 201-289-8; NSC 22275; 2-(4-tertButylbenzyl)propionaldehyde; BRN 0880140; AI336196; p-tert-Butyl-alpha-methylhydrocinnamaldehyde; alpha-Methyl-p-(tert-butyl)hydrocinnamaldehyde; p-tertButyl-alpha-methylhydrocinnamic aldehyde; [(2E)-3,7-dimethylocta-2,6-dienyl] acetate; Geraniol acetate; GERANYL ACETATE; Neryl acetate; Neryl ethanoate; Geranyl acetate A; NERYLACETATE; Acetic acid, geraniol ester; Geranyl acetate, cis-; Nerol acetate (6CI); Bay pine (oyster) oil; FEMA No. 2509;

5.28

140-11-4

C9H10O2/ 150.174

Nist27.Lib

3.21

80-26-2 104806-93-1, 10581-37-0, 21090-64-2

C12H20O2/ 196.286

Wiley7.Lib

3.16

586-81-2

C10H18O/ 154.249

Wiley7.Lib

3.14

88-29-9

C18H26O/ 258.398

Nist147.Lib

2.86

80-54-6 39390-70-0

C14H20O/ 204.308

Nist147.Lib

2.53

105-87-3 8022-83-1, 130396-84-8, 130396-85-9, 141-12-8

C12H20O2/ 196.286

Nist147.Lib

3

FEMA No. 2773; FEMA Number 2509; tetradecanoic acid; MYRISTIC ACID; Crodacid; nTetradecanoic acid; n-Tetradecoic acid; Myristinsaeure; Tetradecanoate; Myristate; tetradecoic acid; Lead dimyristate; FEMA No. 2764;

2.49

544-63-8 32112-52-0, 45184-05-2

C14H28O2/ 228.371

2.24

110-98-5

C6H14O3/1 34.174

Nist27.Lib

1.85

120-51-4

C14H12O2/ 212.244

Nist147.Lib

17

chromen-2-one; coumarin; cumarin; Rattex; Tonka bean camphor; 1,2-Benzopyrone; Coumarinic anhydride; 2H1-Benzopyran-2-one; Benzo-alpha-pyrone; Benzo-apyrone;

1.68

91-64-5

C9H6O2/ 146.143

18

2,6-dimethyloctan-2-ol; Tetrahydromyrcenol; 2,6Dimethyl-2-octanol; 2-Octanol, 2,6-dimethyl-; 2,6-Dimethyloctan-2-ol;

1.66

18479-57-7

C10H22O/ 158.281

14

15

16

1-(2-hydroxypropoxy)propan-2-ol; 2-Propanol, 1,1'oxydi-; 4-Oxaheptane-2,6-diol; 2-Propanol, 1,1'-oxybis-; NIAX catalyst D-19; Bis(2-hydroxypropyl) ether; DIPROPYLENE GLYCOL; 1,1'-Oxydipropan-2-ol; 2,2'Dihydroxydipropyl ether; 1,1'-Oxybis-2-propanol; 1,1'OXYDI-2-PROPANOL; phenylmethyl benzoate; BENZYL BENZOATE; Benylate; Novoscabin; Peruscabin; Ascabiol; Benzylets; Colebenz; Scabagen; Scabanca; Scabiozon; FEMA No. 2138; Vanzoate; Venzonate; Scobenol; Spasmodin; Benzoic acid, benzyl ester; Benzoic acid, phenylmethyl ester;

Nist27.Lib; Myristic Acid

(**)

Insecticides

Wiley7.Lib; Anticoagulants

Nist147.Lib

4

19

20

21

22

23

3-(3-hydroxypropoxy)propan-1-ol; Oxybispropanol; Oxydipropanol; Dipropylenglykol; Dipropyleneglycol; Propanol, oxybis-; Polypropylene glycol; 3,3'Oxydipropanol; 1,3-Dipropylene glycol; DIPROPYLENE GLYCOL;

1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol; 1-methyl4-prop-1-en-2-yl-cyclohexan-1-ol; 1-Terpineol; Terpinol, beta-; cis-beta-Terpineol; pMenth-8-en-1-ol; Terpin-1-ol; cis-.beta.-Terpineol; transbeta-Terpineol; TERPINEOLS; (E)-.beta.-terpineol; BETA-TERPINEOL; (2E)-2-(phenylmethylidene)octanal; (2E)-2benzylideneoctanal; Hexylcinnamaldehyde; 2-Hexenyl cynnamaldehyde; Hexyl cinnamic aldehyde; .alpha.Hexylcinnamaldehyde; Octanal, 2-(phenylmethylene)-; .alpha.-Hexylcinnamic aldehyde; Cinnamaldehyde, .alpha.-hexyl-; Cinnamic aldehyde dimethyl acetal; Octanal, 2- (phenylmethylene)-; (2,2,2-trichloro-1-phenylethyl) acetate; (2,2,2trichloro-1-phenyl-ethyl) acetate; Rose crystals Rosacetol; Plifenat; Trichloromethylphenylcarbinyl acetate; .alpha.-(Trichloromethyl)benzyl acetate; alpha(Trichloromethyl)benzyl acetate; Trichlor phenyl methyl carbinyl acetate; Rosephenone trichloro methyl phenylcarbinyl acetate; 1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2yl)ethanone; 1-(3,5,5,6,8,8-hexamethyltetralin-2yl)ethanone; Tonalid; Tonalide; Musk tonalid; AHMT (perfume); AHMT; AHTN; Acetyl hexamethyl tetralin; 7-Acetyl-1,1,3,4,4,6-hexamethyltetralin;

1.52

25265-71-8, 78644-49-2 , 30370-61-7; 2396-61-4; 25322-23-0; 27941-90-8; 27941-91-9; 28678-26-4, 75047-14-2

C6H14O3/1 34.174

Nist147.Lib

1.38

138-87-4

C10H18O/ 154.249

Wiley7.Lib

1.29

101-86-0

C15H20O/ 216.319

Wiley7.Lib

0.99

126753-06-8, 90-17-5

C10H9Cl3O 2/267.535

Wiley7.Lib

0.61

131433-13-1, 1506-02-1, 21145-77-7

C18H26O/ 258.398

Wiley7.Lib

5

24

25

1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol; 1-methyl4-prop-1-en-2-yl-cyclohexan-1-ol; 1-Terpineol; Terpinol, beta-; cis-beta-Terpineol; pMenth-8-en-1-ol; Terpin-1-ol; cis-.beta.-Terpineol; transbeta-Terpineol; TERPINEOLS; (E)-.beta.-terpineol; BETA-TERPINEOL; FEMA No. 3564; 4-(4-methylpent-3-enyl)cyclohex-3-ene-1carbaldehyde; Myrac aldehyde; Myrac aldehyde 2; para-Myrac aldehyde; EINECS 253-617-4; 1-Formyl-4isohexenyl-4-cyclohexene; 1-Formyl-4-ixohexenyl-4cyclohexene; Isohexenyl cyclohexenyl carboxaldehyde; 3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3pentenyl)-; 4-(4-Methyl-3-pentenyl)-3-cyclohexene-1carboxaldehyde; 4-(4-Methyl-3-pentenyl)cyclohex-3ene-1-carbaldehyde; Total

Notes: -

0.60

7299-40-3 (?) 138-87-4

C10H18O/ 154.249

Nist27.Lib

0.42

80450-04-0, 128352-68-1 ; 37677-14-8

C13H20O/ 192.297

Szterp.Lib

97.99

(*)

IUPAC name written in bold letter, compound names are separated by semi-colon (;) CAS: Chemical Abstracts Service (**) a saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils. It is used to synthesize flavor and as an ingredient in soaps and cosmetics.

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