CAS No.: 500-66-3 — Olivetol (5-戊基间苯二酚)

1. Primary Information

English name:	Olivetol
CAS No.:	500-66-3
Molecular formula:	C₁₁H₁₆O₂
Molecular weight:	180.24 g/mol
SMILES:	CCCCCC1=CC(=CC(=C1)O)O
Structural class:
Other identifiers:	5-pentyl-1,3-dihydroxybenzene olivetol

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	1000g	≥98%(HPLC)	2600	Buy now	2-8℃	in stock	200kg起订

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 29 29 0 0 0 0 0 0 0999 V2000 -3.0216 2.4213 0.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1186 -2.3510 0.3739 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0043 -0.0702 0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4486 -0.0266 -0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9697 -0.0573 -1.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4438 -0.0150 0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4591 -0.0247 -0.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8783 0.0672 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1286 -1.2176 -0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0794 1.1978 -0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 1.2281 0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4501 -1.1874 0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0863 0.0354 0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8608 -0.9679 0.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8299 0.7891 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6381 -0.8953 -1.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5912 0.8692 -1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -0.9361 -1.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1478 0.8088 -1.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3221 -0.9219 1.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2426 0.8406 1.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0411 0.9818 -0.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5728 0.0727 1.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1229 -0.7902 -0.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6354 -2.1722 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5419 2.1253 -0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1161 0.0663 0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4012 3.1404 0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0190 -2.1433 0.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 28 1 0 0 0 0 2 12 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 12 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 13 27 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

5-pentylbenzene-1,3-diol

4.2 InChI

InChI=1S/C11H16O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h6-8,12-13H,2-5H2,1H3

4.3 InChIKey

IRMPFYJSHJGOPE-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCCCC1=CC(=CC(=C1)O)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)