CAS No.: 3228-02-2 — o-Cymen-5-ol (3-甲基-4-异丙基苯酚)

1. Primary Information

English name:	o-Cymen-5-ol
CAS No.:	3228-02-2
Molecular formula:	C₁₀H₁₄O
Molecular weight:	150.22 g/mol
SMILES:	CC1=C(C=CC(=C1)O)C(C)C
Structural class:
Other identifiers:	o-cymen-5-ol

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	500mg	HPLC≥98%	148	RT	in stock	-
Kehua Intelligence	5g	≥98%(HPLC)	19	RT	in stock	-
Kehua Intelligence	25g	≥98%(HPLC)	57	RT	in stock	-
Kehua Intelligence	100g	≥98%(HPLC)	172	RT	in stock	-
Kehua Intelligence	500g	≥98%(HPLC)	640	RT	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 3.5094 0.3679 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1205 -0.0365 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6296 0.0519 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1577 -1.0996 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7462 0.5905 -1.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7447 0.5872 1.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0261 1.3094 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5486 -0.9934 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4653 -2.4570 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3647 1.4155 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 0.2641 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4567 -1.0775 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5704 1.6703 -1.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8300 0.4307 -1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3311 0.1375 -2.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3287 0.1316 2.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8285 0.4274 1.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5687 1.6667 1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6174 2.2209 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1722 -1.8841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2948 -3.2466 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0736 -2.6066 0.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0746 -2.6072 -0.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8228 2.4009 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7533 1.3096 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 10 2 0 0 0 0 7 19 1 0 0 0 0 8 11 2 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-methyl-4-propan-2-ylphenol

4.2 InChI

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

4.3 InChIKey

IJALWSVNUBBQRA-UHFFFAOYSA-N

4.4 Canonical SMILES

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