CAS No.: 464-43-7 — Borneol (天然冰片（右旋龙脑）)

1. Primary Information

English name:	Borneol
CAS No.:	464-43-7
Molecular formula:	C₁₀H₁₈O
Molecular weight:	154.25 g/mol
SMILES:	CC1(C2CCC1(C(C2)O)C)C
Structural class:
Other identifiers:	borneol isoborneol isoborneol, (1R-endo)-isomer isoborneol, (1R-exo)-isomer isoborneol, (1S-endo)-isomer

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	50mg	GC≥98%	160	Buy now	2-8℃	in stock	-
Kehua Intelligence	1g	98%	390	Buy now	2-8℃	in stock	-
Kehua Intelligence	5g	98%	996	Buy now	2-8℃	in stock	-
Kehua Intelligence	25g	98%	2560	Buy now	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 29 30 0 1 0 0 0 0 0999 V2000 -2.5806 -0.3364 -0.1935 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1716 -0.6919 0.3214 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1070 -0.0345 -0.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4251 1.3596 -0.3061 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2656 -0.3099 -0.7211 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4204 0.1536 1.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8687 1.1229 -1.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0181 1.5703 1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1078 -2.1805 0.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5325 -0.5519 -1.6702 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3682 -0.1013 0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0353 2.1787 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2515 -0.9705 -1.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2008 -0.1795 2.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4585 0.1188 1.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6465 1.8618 -0.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6577 1.1760 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8514 2.2753 1.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8018 1.9535 1.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6984 -2.4169 1.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0446 -2.5364 1.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0676 -2.7545 -0.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3314 0.0764 -2.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9179 -1.5754 -1.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7349 -0.5679 -2.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1552 0.5421 0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2155 0.2121 1.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7608 -1.1239 0.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7645 -1.2482 0.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 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

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

4.2 InChI

InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1

4.3 InChIKey

DTGKSKDOIYIVQL-WEDXCCLWSA-N

4.4 Canonical SMILES

CC1(C2CCC1(C(C2)O)C)C

4.5 Isomeric SMILES

C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2O

4.6 SDF file

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 11 12 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -0.512094 0.429637 0 0
M  V30 2 C 0.36691 0.429648 0 0
M  V30 3 C 0.744148 -0.429634 0 0
M  V30 4 C 1.48829 1.89045e-05 0 0
M  V30 5 C 1.48827 0.859134 0 0
M  V30 6 C 0.744126 1.28877 0 0
M  V30 7 C -1.09126e-05 0.859115 0 0
M  V30 8 C 0 0 0 0
M  V30 9 O -0.761259 1.2986 0 0
M  V30 10 C 0.92466 2.14903 0 0
M  V30 11 C -0.339857 -1.18003 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 6
M  V30 3 1 2 3
M  V30 4 1 2 11
M  V30 5 1 3 8
M  V30 6 1 3 4
M  V30 7 1 4 5
M  V30 8 1 5 6
M  V30 9 1 6 7
M  V30 10 1 6 10
M  V30 11 1 7 8
M  V30 12 1 7 9
M  V30 END BOND
M  V30 END CTAB
M  END

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)

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)