CAS No.: 68441-17-8 — 6-Hydroxy-5-methyl-4,11-dioxoundecanoic acid (聚氧化乙烯)

1. Primary Information

English name:	6-Hydroxy-5-methyl-4,11-dioxoundecanoic acid
CAS No.:	68441-17-8
Molecular formula:	C₁₂H₂₀O₅
Molecular weight:	244.28 g/mol
SMILES:	CC(C(CCCCC=O)O)C(=O)CCC(=O)O
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25g	average Mv ~200,000,powder	128	RT	in stock	-
Kehua Intelligence	100g	average Mv ~200,000,powder	384	RT	in stock	-
Kehua Intelligence	25g	average Mv ~500,000,powder	115	RT	in stock	-
Kehua Intelligence	100g	average Mv ~500,000,powder	352	RT	in stock	-
Kehua Intelligence	25g	average Mv ~800,000,powder	115	RT	in stock	-
Kehua Intelligence	100g	average Mv ~800,000,powder	352	RT	in stock	-
Kehua Intelligence	25g	average Mv ~2000,000,powder	115	RT	in stock	-
Kehua Intelligence	100g	average Mv ~2000,000,powder	352	RT	in stock	-
Kehua Intelligence	25g	average Mv 100,000, powder	102	RT	in stock	-
Kehua Intelligence	100g	average Mv 100,000, powder	256	RT	in stock	-
Kehua Intelligence	25g	average Mv ~300,000,powder	88	RT	in stock	-
Kehua Intelligence	100g	average Mv ~300,000,powder	320	RT	in stock	-
Kehua Intelligence	25g	average Mv ~600,000,powder	88	RT	in stock	-
Kehua Intelligence	100g	average Mv ~600,000,powder	320	RT	in stock	-
Kehua Intelligence	25g	average Mv ~1,000,000,powder	57	RT	in stock	-
Kehua Intelligence	100g	average Mv ~1,000,000,powder	179	RT	in stock	-
Kehua Intelligence	25g	average Mv ~5,000,000,powder	64	RT	in stock	-
Kehua Intelligence	100g	average Mv ~5,000,000,powder	140	RT	in stock	-
Kehua Intelligence	25g	average Mv ~7,000,000,powder	70	RT	in stock	-
Kehua Intelligence	100g	average Mv ~7,000,000,powder	256	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 37 36 0 1 0 0 0 0 0999 V2000 -0.4614 3.4278 -1.0816 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4118 1.3036 -1.0724 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3525 -3.6322 -0.7407 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1014 -1.7637 -0.9155 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9492 -3.2659 1.0129 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1179 2.6566 -0.0282 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0071 1.9722 0.7753 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1531 1.7002 -0.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9084 0.9088 0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7896 0.9597 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9531 -0.0202 -0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9689 2.9828 1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7567 -0.4878 0.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7512 -0.7920 0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5643 -1.4329 -0.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8398 -1.6657 0.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5635 -2.8514 0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6361 3.3638 0.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5554 1.4255 1.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8679 2.2808 -1.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6679 1.0169 -1.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2226 0.3031 1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4047 1.6076 1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4578 -0.7284 -0.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6412 0.5705 -0.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4989 3.5628 0.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7271 2.4703 2.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 3.6809 2.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1475 -0.5126 1.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.8174 0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2328 -0.0961 1.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0841 -1.4400 1.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 3.9025 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6038 -1.0890 -0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1485 -1.4367 -1.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4189 -2.2380 1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3694 -4.5625 -0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 33 1 0 0 0 0 2 10 2 0 0 0 0 3 17 1 0 0 0 0 3 37 1 0 0 0 0 4 16 2 0 0 0 0 5 17 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

6-hydroxy-5-methyl-4,11-dioxoundecanoic acid

4.2 InChI

InChI=1S/C12H20O5/c1-9(11(15)6-7-12(16)17)10(14)5-3-2-4-8-13/h8-10,14H,2-7H2,1H3,(H,16,17)

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)