CAS No.: 104-54-1 — Cinnamyl alcohol (肉桂醇)

1. Primary Information

English name:	Cinnamyl alcohol
CAS No.:	104-54-1
Molecular formula:	C₉H₁₀O
Molecular weight:	134.17 g/mol
SMILES:	C1=CC=C(C=C1)C=CCO
Structural class:
Other identifiers:	3-phenyl-2-propene-1-ol 3-phenylprop-2-en-1-ol cinnamic alcohol cinnamyl alcohol cinnamyl alcohol, (E)-isomer

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	HPLC≥98%	80	Buy now	2-8℃	in stock	-
Kehua Intelligence	25g	HPLC≥98%	1760	Buy now	2-8℃	in stock	-
Kehua Intelligence	100ml	≥98%	40	Buy now	2-8℃	in stock	-
Kehua Intelligence	500ml	≥98%	160	Buy now	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(E)-3-phenylprop-2-en-1-ol

4.2 InChI

InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+

4.3 InChIKey

OOCCDEMITAIZTP-QPJJXVBHSA-N

4.4 Canonical SMILES

C1=CC=C(C=C1)C=CCO

4.5 Isomeric SMILES

C1=CC=C(C=C1)/C=C/CO

4.6 SDF file

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 10 10 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 -3.33067e-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 -1.73205 -2 0 0
M  V30 8 C -1.73205 -3 0 0
M  V30 9 C -2.59808 -3.5 0 0
M  V30 10 O -3.4641 -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 4 5
M  V30 6 1 4 7
M  V30 7 2 5 6
M  V30 8 2 7 8
M  V30 9 1 8 9
M  V30 10 1 9 10
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)