Zinc octadecanoate

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Rank

Match %

Compound Name

Formula / SMILES

Library preview

Action

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Evidence

Key evidence

Κύρια αντιστοίχιση βιβλιοθήκης

Zinc octadecanoate #207 | match 77.1%

Κατεύθυνση υλικού

Zinc octadecanoate (zinc stearate) The infrared spectrum is consistent with zinc octadecanoate, a long-chain zinc carboxylate (zinc stearate). Characteristic bands for the metal carboxylate and aliphatic chains are clearly present and in good agreement with the library match.

Supporting peaks

721 cm-1 741 cm-1 1396 cm-1 1455 cm-1 1534 cm-1 2846 cm-1 2914 cm-1

Supporting groups

aromatic methyl ring oxygen ring_6m nitrogen c_h_stretch

Support

Evidence supporting the conclusion

Only sample-relevant statements that support the present conclusion are shown here.

The infrared spectrum is consistent with zinc octadecanoate, a long-chain zinc carboxylate (zinc stearate). Characteristic bands for the metal carboxylate and aliphatic chains are clearly present and in good agreement with the library match.
reference library comparison returns zinc octadecanoate (spectrum #207, similarity 0.771) as the top candidate; the next nearest matches are cobalt octadecanoate and zinc 4‑cyclohexylbutanoate, all long-chain metal carboxylates.
The peak pattern at 2914/2846, 1534/1396, 1455, and 721/741 cm ⁻¹ closely follows the known spectral profile of metal stearates.
Related literature observes comparable aliphatic CH stretching and carboxylate features in drug‑excipient mixtures and plant extract‑derived materials, further supporting the presence of a long‑chain organic salt.
The pair of strong bands at 2914 and 2846 cm ⁻¹ is consistent with asymmetric and symmetric CH₂ stretching of the long alkyl chain.
The asymmetric carboxylate COO⁻ stretching appears at 1534 cm ⁻¹, while the symmetric carboxylate stretch is located at 1396 cm ⁻¹, both typical for a zinc salt of a fatty acid.
A CH₂ scissoring deformation is observed at 1455 cm ⁻¹, and the CH₂ rocking mode appears as a doublet at 721 and 741 cm ⁻¹, characteristics that collectively point to a highly ordered, long-chain aliphatic carboxylate.
Major peak assignments include 1534: Related literature: amide II / aromatic C=C stretch | Direct reference: aromatic; ring; 2914: Related literature: aliphatic C-H stretching (CH2/CH3) | Direct reference: alkyl c h; aromatic; 1455: Related literature: aromatic ring vibration / CH bending | Direct reference: alkyl c h; aromatic; 1396: Related literature: C-O / O-H bending (phenolic or polyol) | Direct reference: alkyl c h; aromatic.

Limitations

Evidence that limits the conclusion

The library‑associated supporting groups (methoxy, methacrylate) do not correspond to zinc octadecanoate and likely arise from non‑specific group recognition in the retrieval process; the actual spectral evidence does not support ester or ether functionalities.
Several direct‑evidence peak assignments (N–H at 721 cm ⁻¹, external tetrahedral at 741 cm ⁻¹, fluorine at 1396 cm ⁻¹, Sn at 1455 cm ⁻¹, C=N at 1534 cm ⁻¹) originate from literature systems that are chemically incompatible with the identified metal carboxylate and are therefore not relevant to this sample.
The 741 cm ⁻¹ component of the CH₂ rocking doublet could be overlapped by minor crystalline-phase contributions; its precise assignment depends on the polymorphic form of the zinc salt.
Without a reference spectrum or elemental analysis, the possibility of a mixed‑metal carboxylate or a closely related soap cannot be entirely excluded.

Recommendation

Suggested next verification

Compare the spectrum directly with a reference spectrum of zinc stearate (zinc octadecanoate) and, if possible, with the metal‑salt series of stearates to confirm the identity.
Confirm the metal content by energy‑dispersive X‑ray spectroscopy or ICP‑OES, and use thermogravimetric analysis to quantify the organic portion.
If the 741 cm ⁻¹ feature remains ambiguous, obtain X‑ray diffraction data to identify the crystal phase and rule out possible contaminants.

Index	Characteristic	Wavenumber	Absorbance	Evidence	One-line interpretation	Citation	Confidence
1	★	1534	1.00	Αντιστοίχιση υποστηριζόμενη από βιβλιογραφία	Η ζώνη στο 1534 cm-1 αποδίδεται σε carboxyl[14].	[14]	Εμπιστοσύνη LLM
2	★	2914	0.50	Αντιστοίχιση υποστηριζόμενη από βιβλιογραφία	Η ζώνη στο 2914 cm-1 αποδίδεται σε alkyl C-H[11].	[11]	Εμπιστοσύνη LLM
3	★	1455	0.46	Αντιστοίχιση υποστηριζόμενη από βιβλιογραφία	Η ζώνη στο 1455 cm-1 αποδίδεται σε alkyl C-H[12].	[12]	Εμπιστοσύνη LLM
4	★	1396	0.37	Αντιστοίχιση υποστηριζόμενη από βιβλιογραφία	Η ζώνη στο 1396 cm-1 αποδίδεται σε carboxyl[8].	[8]	Εμπιστοσύνη LLM
5	★	2846	0.28	Αντιστοίχιση υποστηριζόμενη από βιβλιογραφία	Η ζώνη στο 2846 cm-1 αποδίδεται σε alkyl C-H[13].	[13]	Εμπιστοσύνη LLM
6	★	721	0.28	Αναλογική ανάθεση βιβλιογραφίας	Η ζώνη στο 721 cm-1 αποδίδεται σε long chain methylene rocking / aromatic out of plane C-H[9].	[9]	Εμπιστοσύνη LLM
7	★	741	0.25	Αναλογική ανάθεση βιβλιογραφίας	Η ζώνη στο 741 cm-1 αποδίδεται σε long chain methylene rocking / aromatic out of plane C-H[9].	[9]	Συνολική εμπιστοσύνη

Index

Characteristic

Wavenumber

Absorbance

Evidence

One-line interpretation

Citation

Confidence

★

1534

1.00

Αντιστοίχιση υποστηριζόμενη από βιβλιογραφία

Η ζώνη στο 1534 cm-1 αποδίδεται σε carboxyl[14].

[14]

Εμπιστοσύνη LLM

★

2914

0.50

Αντιστοίχιση υποστηριζόμενη από βιβλιογραφία

Η ζώνη στο 2914 cm-1 αποδίδεται σε alkyl C-H[11].

[11]

Εμπιστοσύνη LLM

★

1455

0.46

Αντιστοίχιση υποστηριζόμενη από βιβλιογραφία

Η ζώνη στο 1455 cm-1 αποδίδεται σε alkyl C-H[12].

[12]

Εμπιστοσύνη LLM

★

1396

0.37

Αντιστοίχιση υποστηριζόμενη από βιβλιογραφία

Η ζώνη στο 1396 cm-1 αποδίδεται σε carboxyl[8].

[8]

Εμπιστοσύνη LLM

★

2846

0.28

Αντιστοίχιση υποστηριζόμενη από βιβλιογραφία

Η ζώνη στο 2846 cm-1 αποδίδεται σε alkyl C-H[13].

[13]

Εμπιστοσύνη LLM

★

721

0.28

Αναλογική ανάθεση βιβλιογραφίας

Η ζώνη στο 721 cm-1 αποδίδεται σε long chain methylene rocking / aromatic out of plane C-H[9].

[9]

Εμπιστοσύνη LLM

★

741

0.25

Αναλογική ανάθεση βιβλιογραφίας

Η ζώνη στο 741 cm-1 αποδίδεται σε long chain methylene rocking / aromatic out of plane C-H[9].

[9]

Συνολική εμπιστοσύνη

No.	Title	DOI	Page
[1]	Torrisi 等 - 2023 - Ultra-High Molecular Weight Polyethylene Modificat	10.3390/polym15051169	-
[2]	Naseem 等 - 2020 - Mesoporous ZnAl2Si10O24 nanofertilizers enable hig	10.1038/s41598-020-67611-4	-
[3]	Jaiswal 等 - 2013 - Structural and optical studies of 100 MeV Au irrad	10.1016/j.nimb.2013.05.053	-
[4]	Graur 等 - 2023 - Novel Copper(II) Complexes with N-4,S-Diallylisoth	10.3390/inorganics11050195	-
[5]	Armenta 等 - 2004 - Determination of cyromazine in pesticide commercia	10.1016/j.aca.2004.02.063	-
[6]	Al-Shdefat 等 - 2023 - Ribociclib Hybrid Lipid-Polymer Nanoparticle Prepa	10.3390/polym15132844	-
[7]	Akram 等 - 2021 - Influence of Graphene Oxide Contents on Mechanical	10.3390/polym	-
[8]	Eduah 等 - 2020 - Mechanism of orthophosphate (PO4-P) adsorption ont	10.1016/j.eti.2019.100572	-
[9]	Ledeti 等 - 2020 - Stability and Compatibility Studies of Levothyroxi	10.3390/pharmaceutics12010058	6
[10]	Balazova 等 - 2023 - In Situ Gel with Silver Nanoparticles Prepared Usi	10.3390/life13020573	9
[11]	Zhao 等 - 2017 - Assessment of HDPE Aged under DC Voltage Combined	-	5
[12]	Yordanova 等 - 2018 - Zn2+-triggered self-assembly of Gonadorelin [6-D-P	10.1038/s41598-018-29529-w	4
[13]	Torrisi 等 - 2023 - Ultra-High Molecular Weight Polyethylene Modificat	10.3390/polym15051169	4
[14]	Foucaud 等 - 2021 - Adsorption mechanisms of fatty acids on fluorite u	10.1016/j.jcis.2020.09.062	28

No.

Title

DOI

Page

[1]

Torrisi 等 - 2023 - Ultra-High Molecular Weight Polyethylene Modificat

10.3390/polym15051169

[2]

Naseem 等 - 2020 - Mesoporous ZnAl2Si10O24 nanofertilizers enable hig

10.1038/s41598-020-67611-4

[3]

Jaiswal 等 - 2013 - Structural and optical studies of 100 MeV Au irrad