CAS No.: 5655-61-8 — Bornyl acetate (乙酸龙脑酯)

1. Primary Information

English name:	Bornyl acetate
CAS No.:	5655-61-8
Molecular formula:	C₁₂H₂₀O₂
Molecular weight:	196.29 g/mol
SMILES:	CC(=O)OC1CC2CCC1(C2(C)C)C
Structural class:
Other identifiers:	bornyl acetate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	GC≥98%	144	Buy now	2-8℃	in stock	-
Kehua Intelligence	100mg	GC≥98%	560	Buy now	2-8℃	in stock	-
Kehua Intelligence	25g	AR，95%	400	Buy now	2-8℃	in stock	-
Kehua Intelligence	100g	AR，95%	1200	Buy now	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 34 35 0 1 0 0 0 0 0999 V2000 -1.6591 0.5736 -0.1741 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 -1.3336 -0.3152 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8004 0.6872 -0.4352 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9104 -0.3863 -0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2119 -0.9076 1.0632 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4959 -0.1774 -0.4755 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8111 1.4649 0.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2199 -1.2555 0.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0832 0.3565 1.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9447 1.6020 -1.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0381 -1.4403 -1.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3327 0.1607 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8322 -0.1313 -0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9704 0.7871 0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7111 -1.7368 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6286 -0.6270 -1.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1293 1.9857 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6027 2.2221 0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2398 -2.2543 0.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9287 -1.2538 1.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0074 0.5568 2.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2742 0.2773 2.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8771 2.1740 -1.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9457 1.0333 -2.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1176 2.3184 -1.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7245 -2.2380 -1.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1024 -1.9279 -1.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4427 -0.9875 -2.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3983 0.9454 0.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0020 -0.6450 0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 0.5820 -0.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0642 1.5512 -0.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8041 1.2480 1.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9005 0.2129 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 13 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

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

4.2 InChI

InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m0/s1

4.3 InChIKey

KGEKLUUHTZCSIP-HOSYDEDBSA-N

4.4 Canonical SMILES

CC(=O)OC1CC2CCC1(C2(C)C)C

4.5 Isomeric SMILES

CC(=O)O[C@@H]1C[C@@H]2CC[C@]1(C2(C)C)C

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)