CHEMICAL COMPOSITION OF AGARWOOD OIL GRADE S

Scientific & Technical Explanation

Instrument: Shimadzu GCMS-QP2010, INAPRO, Hanoi University of Science & Technology

Library database: Nist169, Nist 98.L, Wiley7n.1, HOP CHAT THOM.L
Sample: grade S of Agarwood Essential oil (provided by Hoang Giang Agarwood Co., Ltd.)
Sample code: S
Source tree: Aquilaria crassna Pierre ex Lecomte Vietnam
Operator: Vu Ngoc Ha -Laboratory of INAPRO
Technical interpretation: Prof. Dinh xuan Ba SECOIN ABC
Date: 21 April 2017

Molecular
* Content Structural
No. IUPAC name & preferred common names CAS# Formula/Weight Classification
(%) Formular
(g/mol)

2-(4a,8-Dimethyl-1,2,3,4,4a,5,6,7-
octahydro-naphthalen-2-yl)-prop-2-en-1-ol;
N/A C15H24O/ Sesquiterpenoid
1 2-(4a,8-dimethyl-2,3,4,5,6,7-hexahydro- 10.32
220.35046
1H-naphthalen-2-yl)prop-2-en-1-ol;
gamma-costol;

Palustrol; 4aH-Cycloprop[e]azulen-4a-ol,
decahydro-1,1,4,7-tetramethyl-; 1,1,4,7-
tetramethyl-2,3,4,5,6,7,7a,7b-octahydro- 5986-49-2 C15H26O/ Sesquiterpene
2 10.22
1aH-cyclopropa[h]azulen-4a-ol; 1,1,4,7- 222.372 alcohol
Tetramethyldecahydro-4ah-
cyclopropa[e]azulen-4a-ol;
2,6,10-Trimethylundecan-(5E)-2,5,9-trien- Sesquiterpenoid
3 8.99 C14H22O N/A
4-one; derivative

1
 alpha-Copaen-11-ol;
Tricyclo[4.4.0.0(2,7)]dec-8-ene-3-methanol,
C15H24O/ Sesquiterpenoid
4 alpha,alpha,6,8-tetramethyl-, stereoisomer; 5.66 41370-56-3
220.35
Tricyclo[4.4.0.0(2,7)]dec-8-ene-5-methanol,
alpha,alpha,2,8-tetramethyl-, stereoisomer;
(-)-Spathulenol; Spathulenol; 1H-
Cycloprop[e]azulen-7-ol, decahydro-1,1,7-
trimethyl-4-methylene-, [1ar-
C15H24O/ Sesquiterpenoid
5 (1a.alpha.,4a.alpha.,7.beta.,7a.beta.,7b.alpha 5.55 N/A
220.35
.)]-; 1H-Cycloprop[e]azulen-7-ol,
decahydro-1,1,7-trimethyl-4-methylene-,
[1aS-(1a.alpha.,4a.alpha.,7.beta.)];
gamma-Eudesmol; 10-epi-gamma-Eudesmol;
2-(4a,8-dimethyl-1,2,3,4,4a,5,6,7-
octahydronaphthalen-2-yl)propan-2-ol; 1209-71-8 C15H26O/ Sesquiterpene
6 4.99
2-Naphthalenemethanol, 1,2,3,4,4a,5,6,7- 222.366 alcohol
octahydro-alpha,alpha,4a,8-tetramethyl-, (2R-
cis)-;

Campherenone; 1,7-dimethyl-7-(4- C15H24O/ Sesquiterpenoid

7 4.65 N/A
methylpent-3-enyl)norbornan-2-one; 220.35

Guaiol; 2-(3,8-dimethyl-1,2,3,4,5,6,7,8- 489-86-1

octahydroazulen-5-yl)propan-2-ol; C15H26O/ Sesquiterpene
8 4.16 13822-35-0
Champacol; Guai-1(5)-en-11-ol; 222.366 alcohol

2
 octanoic acid; n-octanoic acid; n-octic acid;
124-07-2
n-Octoic acid; n-octylic acid; Octic acid; C8H16O2 /
8006-77-7
9 octoic acid; Octylic acid; caprylic acid; 4.08 144.21144 Fatty acid
1984-06-1
Sodium caprylate; Acid C-8; Fatty acids,
3130-28-7
C6-10;

(-)-Aristolene; Aristol-9-ene; Aristolene; C15H24/ Sesquiterpene

10 3.35 6831-16-9
204.351

Beta-selinene; (3S,4aR,8aS)-8a-methyl-5-
methylidene-3-prop-1-en-2-yl-
1,2,3,4,4a,6,7,8-octahydronaphthalene;
(4aS,7S,8aS)-4a-methyl-1-methylidene-7-
prop-1-en-2-yl-decalin; Naphthalene, 17066-67-0, Sesquiterpene
11 2.14 C15H24/204.351
decahydro-4a-methyl-1-methylene-7-(1- 18423-23-9
methylethenyl)-, (4aR-
(4aalpha,7alpha,8abeta))-; beta-Eudesmene;
Selina-4(14),11-diene; Eudesma-4(14),11-
diene;

alpha-Santalol; Santalol, cis,alpha-; 2-

19903-72-1
Penten-1-ol, 5-(2,3- Sesquiterpenoid
12 1.73 115-71-9 C15H24O/220.356
dimethyltricyclo[2.2.1.0(2,6)]hept-3-yl)-2-
14490-13-2
methyl-, [R(Z)]-;

3
 Aristolone; 2H-Cyclopropa(a)naphthalen-2-
one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7
C15H22O/ Sesquiterpenoid
13 a-tetramethyl-, 1.72 6831-17-0
218.33458 derivative
(1aalpha,7alpha,7aalpha,7balpha)-;

VERIDIFLOROL; Globulol; Epiglobulol;

Viridiflorol; Ledol; (-)-Globulol; 1,1,4,7- Sesquiterpene
14 1.54 N/A C15H26O/222.366
Tetramethyldecahydro-1H- alcohol
cyclopropa[e]azulen-4-ol;

3-Phenyl-2-butanone; 3-phenylbutan-2- C10H12O/ Benzylacetone

15 1.06 769-59-5
one; 2-Butanone, 3-phenyl-; 148.205 derivative

delta-Guaiene; 1,4-dimethyl-7-prop-1-en-
2-yl-1,2,3,5,6,7,8,8a-octahydroazulene;
3691-11-0 C15H24 /
16 (1S,7R,8aS)-1,4-dimethyl-7-prop-1-en-2- 0.88 Sesquiterpene
204.351
yl-1,2,3,5,6,7,8,8a-octahydroazulene;

101527-78- C17H26O2/
17 (Z)-valerenyl acetate; cis-Valerenyl acetate; 0.75 0 262.3871 Unclassifiable

4
 2,6,6,9-tetramethylcycloundeca-1,4,8-
18 0.28 6753-98-6 C15H24/204.351 Sesquiterpene
triene; Alpha-Humulene; gamma-
Gumulene; alpha-Caryophyllene;

Total 72.07
Notes: - IUPAC stands for International Union of Pure and Applied Chemistry
- (*) IUPAC name written in bold letter, compound names are separated by semi-colon (;)
- CAS stands for Chemical Abstracts Service

Classification of compounds:
1. Key compounds of Agarwood essential oils: 66.18%, including:
Sesquiterpenes (6.65%), Sesquiterpenoids (38.62%), Sesquiterpene alcohols (20.91%)
2. Aromatic compounds: Benzylacetone derivative (1.06%) it is a typical compounds of Aquilaria crassna Pierre
3. Fatty acids: 4.06%
4. Strange & unclassifiable compound: 0.75% (it is small)
5. No allergen, No toxin from Phthalate Esters.
Conclusion:
1. Sample of grade S is in very good quality of Agarwood essential oil because the content of all key compounds occupies
66.18%, moreover = {[ C15H24O]+[ C15H26O]}/ [C15H24] = 8.95 is rather big (in which [ X] is the content of compound X).
2. Sample of grade S has a special scent of agarwood oil because it has about 60% of Sesquiterpenoids + Sesquiterpene alcohols
and it has also 1.06% Benzylacetone derivative (typical compound of Aquilaria crassna)
3. No allergen (see 16 allergens must be declared in exporting essential oil into EU market).
4. No toxin from Phthalate Esters (that is the absence of DNOP, DEHP, DINP, DBP, BPBG, BOP, DAP, DBP, DCHP, DEP,
DHP, DIBP, DMEP, DMP; see also Toxicity and Health Threats).
SECOIN APPLIED BIOLOGY CENTER
59 Hang Chuoi street, Hai Ba Trung district, Hanoi, Vietnam
No.9D2, Saigon Pearl, 92 Nguyen Huu Canh str., Binh Thanh district, HCMc
Tel: 84913207676, 84-28 73010909; URL: http://agarwood.ning.com
http://www.secoin.vn; E-mail: dxb@secoin.vn; secoinbio@secoin.vn

Explanation by

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