CAS No.: 10597-60-1 — Hydroxytyrosol (羟基酪醇)

1. Primary Information

English name:	Hydroxytyrosol
CAS No.:	10597-60-1
Molecular formula:	C₈H₁₀O₃
Molecular weight:	154.16 g/mol
SMILES:	C1=CC(=C(C=C1CCO)O)O
Structural class:
Other identifiers:	2-(3,4-dihydroxyphenyl)ethanol 3,4-dihydroxyphenylethanol beta-3,4-dihydroxyphenylethyl alcohol dopet hydroxytyrosol

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	HPLC≥98%	672	Buy now	2-8℃	in stock	-
Kehua Intelligence	100mg	98%	86	Buy now	2-8℃	in stock	-
Kehua Intelligence	500mg	98%	192	Buy now	2-8℃	in stock	-
Kehua Intelligence	1g	98%	307	Buy now	2-8℃	in stock	-
Kehua Intelligence	5g	98%	1260	Buy now	2-8℃	in stock	-
Kehua Intelligence	25g	98%	4288	Buy now	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4-(2-hydroxyethyl)benzene-1,2-diol

4.2 InChI

InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2

4.3 InChIKey

JUUBCHWRXWPFFH-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=C(C=C1CCO)O)O

4.5 Isomeric SMILES

4.6 SDF file

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 11 11 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 0.866025 -0.5 0 0
M  V30 2 C 0.866025 -1.5 0 0
M  V30 3 C 5.55112e-16 -2 0 0
M  V30 4 C -0.866025 -1.5 0 0
M  V30 5 C -0.866025 -0.5 0 0
M  V30 6 C 0 -0 0 0
M  V30 7 C -1.16573e-15 1 0 0
M  V30 8 C 0.866025 1.5 0 0
M  V30 9 O 1.73205 1 0 0
M  V30 10 O -1.73205 -2 0 0
M  V30 11 O 8.88178e-16 -3 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 6
M  V30 2 2 1 2
M  V30 3 1 2 3
M  V30 4 2 3 4
M  V30 5 1 3 11
M  V30 6 1 4 5
M  V30 7 1 4 10
M  V30 8 2 5 6
M  V30 9 1 6 7
M  V30 10 1 7 8
M  V30 11 1 8 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)