CAS No.: 97-53-0 — Eugenol (丁香酚)

1. Primary Information

English name:	Eugenol
CAS No.:	97-53-0
Molecular formula:	C₁₀H₁₂O₂
Molecular weight:	164.20 g/mol
SMILES:	COC1=C(C=CC(=C1)CC=C)O
Structural class:
Other identifiers:	Eugenol Phenol, 2-methoxy-4-(2-propenyl)-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	0.5ml	HPLC≥98%	72	Buy now	2-8℃	in stock	-
Kehua Intelligence	25ml	98.5%	46	Buy now	2-8℃	in stock	-
Kehua Intelligence	100ml	98.5%	86	Buy now	2-8℃	in stock	-
Kehua Intelligence	500ml	98.5%	256	Buy now	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 24 24 0 0 0 0 0 0 0999 V2000 2.0666 1.4819 0.5333 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0579 -0.9369 -0.4101 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9919 -0.5156 0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4471 -0.3684 0.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1282 0.5611 0.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 0.4237 0.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4943 -1.7296 -0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7303 -0.7904 -0.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8666 -1.8670 -0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2408 0.1086 -0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2644 2.3700 -0.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9163 1.2627 -0.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 -1.3313 1.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5849 0.3063 1.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5103 1.5101 0.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1567 -2.5758 -0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2408 -2.8182 -0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2737 -0.5407 -1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3175 2.8354 -0.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7003 1.8386 -1.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9576 3.1548 -0.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2185 -1.8416 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4748 1.5427 -1.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9234 1.9441 0.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 9 17 1 0 0 0 0 10 12 2 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-methoxy-4-prop-2-enylphenol

4.2 InChI

InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3

4.3 InChIKey

RRAFCDWBNXTKKO-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=C(C=CC(=C1)CC=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)