CAS No.: 499-75-2 — Carvacrol (香荆芥酚)

1. Primary Information

English name:	Carvacrol
CAS No.:	499-75-2
Molecular formula:	C₁₀H₁₄O
Molecular weight:	150.22 g/mol
SMILES:	CC1=C(C=C(C=C1)C(C)C)O
Structural class:
Other identifiers:	5-isopropyl-2-methylphenol carvacrol

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	50mg	HPLC≥98%	240	Buy now	2-8℃	in stock	-
Kehua Intelligence	25g	92.5%(HPLC)	40	Buy now	2-8℃	in stock	-
Kehua Intelligence	100g	92.5%(HPLC)	96	Buy now	2-8℃	in stock	-
Kehua Intelligence	500g	92.5%(HPLC)	440	Buy now	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 25 25 0 0 0 0 0 0 0999 V2000 -1.9010 2.0331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 -0.3022 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8919 -0.3232 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9626 0.3674 1.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9626 0.3674 -1.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 0.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -1.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8975 -0.3639 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2178 0.8543 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1827 -1.5616 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 -0.4045 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7523 -1.3369 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7122 1.4325 1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0545 0.2809 1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5767 -0.1111 2.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5767 -0.1111 -2.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0545 0.2808 -1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7121 1.4326 -1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6923 1.8317 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7534 -2.4836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6969 -2.5190 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7889 0.0833 0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 0.0842 -0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7662 -1.4336 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8588 1.8813 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 9 1 0 0 0 0 6 19 1 0 0 0 0 7 10 2 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-methyl-5-propan-2-ylphenol

4.2 InChI

InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3

4.3 InChIKey

RECUKUPTGUEGMW-UHFFFAOYSA-N

4.4 Canonical SMILES

CC1=C(C=C(C=C1)C(C)C)O

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)