CAS No.: 89-48-5 — Menthyl acetate (乙酸薄荷酯)

1. Primary Information

English name:	Menthyl acetate
CAS No.:	89-48-5
Molecular formula:	C₁₂H₂₂O₂
Molecular weight:	198.30 g/mol
SMILES:	CC1CCC(C(C1)OC(=O)C)C(C)C
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	97%	240	RT	in stock	-
Kehua Intelligence	25ml	97%	128	RT	in stock	-
Kehua Intelligence	100ml	97%	304	RT	in stock	-
Kehua Intelligence	500ml	97%	1120	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 36 36 0 1 0 0 0 0 0999 V2000 -0.4273 -1.1062 0.4452 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9402 -2.2802 -0.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3127 0.4282 -0.2715 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0190 -0.3119 -0.6527 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0524 1.4736 0.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3477 1.7207 0.0416 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0866 0.6708 -1.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0514 2.4491 0.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4086 -0.5414 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4119 2.7177 -0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6486 -1.6045 -0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 0.2147 0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5646 -1.8295 0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3096 -2.0010 1.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6603 0.9653 -1.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2023 -0.9662 -1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 2.0719 1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 0.9816 1.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7307 1.2133 0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0273 0.1637 -1.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7793 1.1831 -1.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2413 3.1429 1.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2959 3.0548 -0.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1056 -1.0581 1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 2.2038 -0.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6196 3.4506 0.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0909 3.2626 -1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8164 -1.1559 -1.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5332 -2.2037 -0.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8146 -2.3090 -0.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 0.8809 -0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5267 -0.4850 0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6195 0.8048 1.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6139 -1.0251 1.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6802 -2.5228 2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2065 -2.6014 1.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 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 5 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 7 1 0 0 0 0 4 16 1 0 0 0 0 5 8 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(5-methyl-2-propan-2-ylcyclohexyl) acetate

4.2 InChI

InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3

4.3 InChIKey

XHXUANMFYXWVNG-UHFFFAOYSA-N

4.4 Canonical SMILES

CC1CCC(C(C1)OC(=O)C)C(C)C

4.5 Isomeric SMILES

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)