CHEMICAL COMPOSITION OF AGARWOOD OIL – AQUILARIA CRASSNA

Instrument: GCMS Agilent 6890N (USA), Shimadzu QP 2010 (Japan)

Library database: Nist98.L, Wiley7n.1; Nist27, Nist147, Wiley7, Szterp
Sample: Agarwood essential oil supplied by SECOIN CO., LTD.
Sample code: Cvh
Source tree: Aquilaria crassna Pierre ex Lecomte, Phuc Trach commune, Huong Khe district, Ha Tinh province, Vietnam
Operators: Dr. Nguyen thi Minh Tu, Master Ho thi My Dung (Hanoi University of Technology)
Date: 28 April 2006
Technically interpreted by: SECOIN CO., LTD.

Molec.
Content Formula/
Structural
No. IUPAC name & preferred common names (*) (%) CAS # Weight Notes
Formula
(g/mol)
Ethyl hexadecanoate; Hexadecanoic acid, ethyl ester;
C18H36O2/
1 Ethyl palmitate; Palmitic acid, ethyl ester; FEMA No. 13.12 628-97-7 Palmitic acid
284.477
2451; EINECS 211-064-6; NSC8918;
Hexadecanoic acid; Palmitate; Cetylic acid;
n-Hexadecanoic acid; Hexadecylic acid; hexadecanoate; 99, Enzyme
C16H32O2/
2 palmitic acid; Hydrofol; Emersol 140; Hystrene 8016; 12.14 57-10-3 Inhibitors,
256.424
Pentadecanecarboxylic acid; FEMA No. 2832; EINECS Healthy wood,
200-312-9; CHEMBANK831770; C16H32O2
10-epi-gamma-Eudesmol;2-(4a,8-dimethyl- 99,
1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl)propan-2- Sesquiterpene,
C15H26O/
3 ol;gamma-Eudesmol;2-Naphthalenemethanol, 10.71 1209-71-8 Eudesmane;
222.366
1,2,3,4,4a,5,6,7-octahydro-alpha,alpha,4a,8-tetramethyl-, Filaria,
(2R-cis)-; ......

1
 91,
alpha-Eudesmol; 2-(4a,8-dimethyl-2,3,4,5,6,8a- C15H26O/ Sesquiterpenes,
4 6.19 473-16-5
hexahydro-1H-naphthalen-2-yl)propan-2-ol ; 222.366 Nist 98.L,
Wiley7

Ethyl pentadecanoate;
C17H34O2/ 90, Nist 98.L;
5 Pentadecanoic acid, ethyl ester; Pentadecanoic acid, ethyl 5.45 41114-00-5
270.451 Wiley7
ester; EINECS 255-223-8; NSC137833;…..

Guaiol;2-(3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-
5-yl)propan-2-ol; Champacol; Guaiac alcohol; Champaca
489-86-1 C15H26O/
6 camphor; Guai-1(5)-en-11-ol; NSC 19941; EINECS 207- 5.45 Sesquiterpenes
13822-35-0 222.366
702-8; 2-((3S,8S)-1,2,3,4,5,6,7,8-Octahydro-3,8-
dimethylazulen-5-yl)propan-2-ol; ....
Tetradecanoic acid; Myristic acid; Tetradecanoate;
Hydrofol acid 1495; Myristate; Univol U 316S; Hystrene C14H28O2/ 96, Nist 98.L
7 3.98 544-63-8
9014; EINECS 208-875-2; FEMA No. 2764; HSDB 5686; 228.371 Myristic acid
NSC122834; .....

99, Nist 98.L;

Ethyl octadec-9-enoate ; Ethyl Oleate; Ethyl elaidate;
C20H38O2/ Wiley7
8 Oleic acid, ethyl ester; 9-Octadecenoic acid, ethyl ester; 3.97 111-62-6
310.515 Fatty acid; Oleic
EINECS 228-082-5; NISTC6114187;.....
acid

C15H24O/ Sesquiterpenes,
9 Alpha-Agarofuran; NISTR198306; 3.85 N/A
220.35 Szterp

methyl 12-methyltetradecanoate; Tetradecanoic acid,

12-methyl-, methyl ester; Methyl tetradecanoate, 12- C16H32O2/
10 3.75 5129-66-8 81, Nist 98.L
methyl; 62691-05-8; 256.424

2
 Beta-eudesmol; 2-(4a-methyl-8-methylidene-decalin-2-
95, a new
yl)propan-2-ol; beta-Selinenol; 2-naphthalenemethanol, C15H26O/
11 3.17 473-15-4 Sesquiterpene,
decahydro-alpha,alpha,4a-trimethyl-8-methylene-, 222.366
Nist 98.L
(2R,4aR,8aS);

98, Nist 98.L;

Ethyl tetradecanoate; Tetradecanoic acid, ethyl ester;
C16H32O2/ Wiley7; Fatty
12 Myristic acid, ethyl ester; Ethyl myristate; EINECS 204- 2.69 124-06-1
256.424 acid – Myristic
675-4; FEMA No. 2445; NSC 8917; ;
acid- Myristate
1460-73-7, 97, Sipro
Agaruspirol; Agarospirol; Hinesol; NSC152472; 23811-08-7, compounds,
C15H26O/
13 2-(6,10-dimethyl-2-spiro[4.5]dec-9-enyl)propan-2-ol; 2.12 59331-07-6; odour source,
222.366
2-(6,10-Dimethylspiro[4.5]dec-6-en-2-yl)-2-propanol; ..... 4895-33-4; Nist 98.L;
26934-83-8; Nist27
Dihydrokaranone; 4a,5-dimethyl-3-propan-2-ylidene-
5,6,7,8-tetrahydro-4H-naphthalen-2-one; 2(3H)- C15H22O/ 99, Nist98.L;
14 2.07 19598-45-9
Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a,5-dimethyl-3- 218.335 Nist147
(1-methylethylidene)-, (4ar-cis)-;

Hexadecene; hexadec-1-ene ; 1-Hexadecene; Cetene; C16H32/

15 1.65 629-73-2 98, Nist98.L
alpha-Hexadecene; EINECS 248-131-4; NSC 60602; 224.425

Ethyl hexadec-9-enoate ; Ethyl 9-hexadecenoate; C18H34O2/ 96, Nist98.L;

16 1.27 54546-22-4
EINECS 260-065-8; NSC122038; 54546-22-4; 282.461 Wiley7

Khusimol; 1H-3a,6-Methanoazulene-3-methanol,
C15H24O/ Szterp
17 octahydro-7,7-dimethyl-8-methylene-, (3S- 1.07 16223-63-5
220.35 Sesquiterpene
(3alpha,3aalpha,6alpha,8aalpha))-;

3
 1,4a-dimethyl-7-(1-methylethenyl)-2,3,4,4a,5,6,7,8-
octahydronaphthalene; C15H24/
18 1.01 192435 93
2-Isopropenyl-4a,8-dimethyl-1,2,3,4,4a,5,6,7- 204.351
octahydronaphthalene;
9-octadecenoic acid; octadec-9-enoic acid; oleic acid;
99,
Acide elaidique; Acide oleique [French];
8046-01-3 C18H34O2/ pharmaceutical
19 CHEMBANK2796; trans-Oleic acid; Vopcolene 27; 0.60
112-79-8(?) 282.461 solvent; Oleic
Wecoline OO; oleate; Elaidinsaure; acide elaidique;
acid
Elaidic acid; trans-Oleic acid; trans-Elaidic acid;…
Total 84.26

Notes: - (*) IUPAC name written in bold letter, compound names are separated by semi-colon (;)
- CAS: Chemical Abstracts Service

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