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References (1) View in SciFinder n

Isolation and identification of volatile constituents of tincture ambergris

By: Mookherjee, B. D.; Patel, R. R.

Int. Congr. Essent. Oils, [Pap.], 7th (1979), 7, 479-82 | Language: English, Database: CAplus

Microdistn. and then gas chromatog. of aged tincture of ambergris showed α- ambrinol (I) [77286-35-2], norphytan [1921-70-6], γ-
dihydroionone [13720-12-2], β-ionone [79-77-6] and p -cresol [106-44-5]. I has not been identified in any natural product. The
odorous principle of ambergris was related to specific compounds Photooxidation of I indicated that many of the odorous consti
tuents could arise from aut- or photoox idation of I.

Keywords: ambergris tincture volatile constituent; ambrinol constituent ambergris tincture

Me Me

Me

OH I

Substances (23) Reactions (0) Cited By (0)

Copyright © 2022 American Chemical Society (ACS). All Rights Reserved.

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Substances (23) View in SciFinder n

106-44-5 Key Physical Properties Value Condition

Molecular Weight 108.14 -

Melting Point (Experimental) 35.5 °C -

Boiling Point (Experimental) 201.8 °C -

Density (Experimental) 1.0185 g/cm3 Temp: 40 °C

C7H8O pKa (Predicted) 10.21±0.13 Most Acidic Temp: 25 °C

p -Cresol Experimental Properties | Spectra

35K 16K 89
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79-77-6 Key Physical Properties Value Condition

Molecular Weight 192.30 -

Melting Point (Experimental) 122-124 °C -

Boiling Point (Experimental) 135-140 °C Press: 16 Torr

Density (Experimental) 0.9468 g/cm3 Temp: 20 °C

Double bond geometry shown
Experimental Properties | Spectra

C13 H20 O
β-Ionone

7,974 1,324 56
References Reactions Suppliers

1921-70-6 Key Physical Properties Value Condition

Molecular Weight 268.52 -

Boiling Point (Experimental) 296 °C -

Density (Experimental) 0.7833 g/cm3 Temp: 20 °C

Experimental Properties | Spectra

C19 H40
Pristane

5,727 63 75
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30364-38-6 Key Physical Properties Value Condition

Molecular Weight 172.27 -

Boiling Point (Experimental) 75 °C Press: 0.01 Torr

Density (Experimental) 0.9454 g/cm3 Temp: 25 °C

Experimental Properties | Spectra

C13 H16
1,1,6-Trimethyl-1,2-dihydronaphthalene

720 6 44
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475-03-6 Key Physical Properties Value Condition

Molecular Weight 174.28 -

Boiling Point (Experimental) 240 °C -

Density (Experimental) 0.9356 g/cm3 Temp: 20 °C

Experimental Properties | Spectra

C13 H18
Ionene

653 28 24
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6790-58-5 Key Physical Properties Value Condition

Molecular Weight 236.39 -

Melting Point 74-76 °C -

(Experimental)

Boiling Point (Predicted) 273.9±8.0 °C Press: 760 Torr

Absolute stereochemistry shown,
Rotation (-) Density (Predicted) 0.939±0.06 Temp: 20 °C; Press: 760 Torr
g/cm3

C16 H28 O Experimental Properties | Spectra

(-)-Ambrox

599 901 54
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15356-74-8 Key Physical Properties Value Condition

Molecular Weight 180.24 -

Melting Point (Experimental) 40-41 °C -

Boiling Point (Experimental) 63 °C Press: 0.01 Torr

Density (Predicted) 1.05±0.1 g/cm3 Temp: 20 °C; Press: 760 Torr

C11 H16 O2 Experimental Properties | Spectra

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

582 79 51
References Reactions Suppliers

23267-57-4 Key Physical Properties Value Condition

Molecular Weight 208.30 -

Boiling Point (Predicted) 275.1±13.0 °C Press: 760 Torr

Density (Predicted) 1.075±0.06 g/cm3 Temp: 20 °C; Press: 760 Torr

Spectra

C13 H20 O2
5,6-Epoxy-β-ionone

529 52 11
References Reactions Suppliers

3738-00-9 Key Physical Properties Value Condition

Molecular Weight 236.39 -

Melting Point 75-76 °C -

(Experimental)

Boiling Point (Predicted) 273.9±8.0 °C Press: 760 Torr

Density (Predicted) 0.939±0.06 Temp: 20 °C; Press: 760 Torr

C16 H28 O g/cm3
Cetalox
Experimental Properties | Spectra
243 42 8
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10

3155-71-3 Key Physical Properties Value Condition

Molecular Weight 206.32 -

Melting Point 1-2 °C -

(Experimental)

Boiling Point (Experimental) 45 °C Press: 1 x 10 -4 Torr

Density (Predicted) 0.889±0.06 Temp: 20 °C; Press: 760 Torr

C14 H22 O g/cm3
2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)
Experimental Properties | Spectra
-2-butenal

183 43 10
References Reactions Suppliers

11

13720-12-2 Key Physical Properties Value Condition

Molecular Weight 194.31 -

Melting Point (Experimental) 111-112 °C -

Boiling Point (Predicted) 257.9±9.0 °C Press: 760 Torr

Density (Predicted) 0.89±0.1 g/cm3 Temp: 20 °C; Press: 760 Torr

C13 H22 O Experimental Properties | Spectra

Dihydro-γ-ionone

76 64 6
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12

77286-35-2 Key Physical Properties Value Condition

Molecular Weight 194.31 -

Boiling Point (Predicted) 280.1±9.0 °C Press: 760 Torr

Density (Predicted) 0.98±0.1 g/cm3 Temp: 20 °C; Press: 760 Torr

Relative stereochemistry shown pKa (Predicted) 15.13±0.40 Most Acidic Temp: 25 °C

Spectra
C13 H22 O
rel-(2R,4aR)-1,2,3,4,4a,5,6,7-Octahydro-2,5,5-
trimethyl-2-naphthalenol

50 20 0
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13

77286-36-3 Key Physical Properties Value Condition

Molecular Weight 194.31 -

Melting Point (Experimental) 61-62.5 °C -

Boiling Point (Experimental) 60-61 °C Press: 0.05 Torr

Density (Experimental) 0.970 g/cm3 Temp: 12.4 °C

C13 H22 O pKa (Predicted) 15.13±0.40 Most Acidic Temp: 25 °C

1,2,3,4,5,6,7,8-Octahydro-2,5,5-trimethyl-2- Experimental Properties
naphthalenol

19 1 1
References Reaction Supplier

14

72892-61-6 Key Physical Properties Value Condition

Molecular Weight 210.31 -

Boiling Point (Predicted) 254.2±9.0 °C Press: 760 Torr

Density (Predicted) 0.93±0.1 g/cm3 Temp: 20 °C; Press: 760 Torr

C13 H22 O2
Cyclohexaneethanol, 2,2-dimethyl-6-
methylene-, 1-acetate

7 1 2
References Reaction Suppliers

15

72892-59-2 Key Physical Properties Value Condition

Molecular Weight 152.28 -

Boiling Point (Predicted) 179.6±7.0 °C Press: 760 Torr

Density (Predicted) 0.81±0.1 g/cm3 Temp: 20 °C; Press: 760 Torr

C11 H20
2-Ethyl-1,1-dimethyl-3-methylenecyclohexane

7 0 2
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16

65405-83-6 Key Physical Properties Value Condition

Molecular Weight 210.36 -

Boiling Point (Predicted) 274.7±9.0 °C Press: 760 Torr

Density (Predicted) 0.842±0.06 g/cm3 Temp: 20 °C; Press: 760 Torr

C14 H26 O
α,2,6,6-Tetramethylcyclohexanebutanal

4 0 0
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17

72982-74-2 Key Physical Properties Value Condition

Molecular Weight 248.40 -

Boiling Point (Predicted) 311.5±9.0 °C Press: 760 Torr

Density (Predicted) 0.945±0.06 g/cm3 Temp: 20 °C; Press: 760 Torr

C17 H28 O
4a,5,6,6a,7,8,9,10,10a,10b-Decahydro-4a,7,7,
10a-tetramethyl-1H-naphtho[2,1- b ]pyran

3 0 0
References Reactions Suppliers

18

72905-10-3 Key Physical Properties Value Condition

Molecular Weight 206.32 -

Boiling Point (Predicted) 287.1±9.0 °C Press: 760 Torr

Density (Predicted) 0.89±0.1 g/cm3 Temp: 20 °C; Press: 760 Torr

Spectra

C14 H22 O
Cyclohexanebutanal, 2,2-dimethyl-α,6-bis
(methylene)-

3 0 0
References Reactions Suppliers
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19

72892-63-8 Key Physical Properties Value Condition

Molecular Weight 206.32 -

Boiling Point (Predicted) 287.1±9.0 °C Press: 760 Torr

Density (Predicted) 0.89±0.1 g/cm3 Temp: 20 °C; Press: 760 Torr

C14 H22 O
2,2-Dimethyl-α,6-bis(methylene)cyclohexa
nebutanal

3 1 0
References Reaction Suppliers

20

72892-60-5 Key Physical Properties Value Condition

Molecular Weight 168.28 -

Boiling Point (Predicted) 193.0±8.0 °C Press: 760 Torr

Density (Predicted) 0.910±0.06 g/cm3 Temp: 20 °C; Press: 760 Torr

Spectra

C11 H20 O
Octahydro-4,4,7a-trimethylbenzofuran

3 1 0
References Reaction Suppliers

21

72892-58-1 Key Physical Properties Value Condition

Molecular Weight 186.72 -

Boiling Point (Predicted) 229.2±9.0 °C Press: 760 Torr

Density (Predicted) 0.93±0.1 g/cm3 Temp: 20 °C; Press: 760 Torr

C11 H19 Cl
2-(2-Chloroethyl)-1,1-dimethyl-3-methylenec
yclohexane

3 1 7
References Reaction Suppliers
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22

72892-46-7 There are no Key Physical Properties to display for this substance.

4361-23-3

C13 H24 O
Cyclohexanepropanol, α,2,2,6-tetramethyl-,
didehydro deriv.

1 0 0
Reference Reactions Suppliers

23

72892-45-6 There are no Key Physical Properties to display for this substance.

68555-59-9

C15 H26 O2
Cyclohexanepropanol, α,2,2,6-tetramethyl-,
didehydro deriv., acetate

1 0 0
Reference Reactions Suppliers

Copyright © 2022 American Chemical Society (ACS). All Rights Reserved.

Internal use only. Redistribution is subject to the terms of your SciFinderⁿ License Agreement and CAS information Use Policies.