CAS No.: 42482-06-4 — 2-Octenylsuccinic Anhydride (2-辛烯基琥珀酸酐(顺反异构体混合物))

1. Primary Information

English name:	2-Octenylsuccinic Anhydride
CAS No.:	42482-06-4
Molecular formula:	C₁₂H₁₈O₃
Molecular weight:	210.27 g/mol
SMILES:	CCCCCC=CCC1CC(=O)OC1=O
Structural class:
Other identifiers:	2-octen-1-ylsuccinic anhydride

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25g	≥95%(GC)	62	RT	in stock	-
Kehua Intelligence	100g	≥95%(GC)	163	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 33 33 0 1 0 0 0 0 0999 V2000 -4.4058 -0.0985 0.3168 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9338 2.1360 0.2165 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2465 -2.3787 0.2165 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3207 0.4962 -0.5608 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1202 1.2005 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3317 -0.9918 -0.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6021 0.1532 0.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3882 -0.4841 -0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9104 -0.3778 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6116 0.9715 0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1662 0.6642 -0.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 0.0612 0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7514 -1.2693 0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1240 0.2335 0.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4259 -0.3164 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3769 0.6692 -1.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1703 2.2743 -0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1421 1.1184 1.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0504 -1.5672 -1.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7014 -1.2740 0.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5742 -0.0530 1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 1.2435 0.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 -1.5688 -0.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4426 -0.3203 -1.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9506 -0.1511 -1.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9406 -1.4696 -0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3294 0.7899 -1.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9386 -0.0684 1.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0799 0.0228 1.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1119 1.3232 0.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2804 0.1350 0.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4836 -1.4014 0.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5166 -0.0963 -1.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 10 2 0 0 0 0 3 13 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 11 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 13 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 12 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-[(E)-oct-2-enyl]oxolane-2,5-dione

4.2 InChI

InChI=1S/C12H18O3/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h6-7,10H,2-5,8-9H2,1H3/b7-6+

4.3 InChIKey

WSGFXVFLWVXTCJ-VOTSOKGWSA-N

4.4 Canonical SMILES

CCCCCC=CCC1CC(=O)OC1=O

4.5 Isomeric SMILES

CCCCC/C=C/CC1CC(=O)OC1=O

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)