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isobutylbenzene

chemical compound
Class type of: butylbenzenes Q16912105

Facts

9 properties
Instance of
type of chemical entity
Subclass of
butylbenzenes
Boiling point
+172.79[11]
Canonical SMILES
CC(C)CC1=CC=CC=C1[3]
Chemical formula
C₁₀H₁₄[4]
Found in taxon
Cryptoporus volvatus, Vaccinium ashei, Vaccinium virgatum, Vaccinium corymbosum[5][6][7][8]
Ionization energy
+8.68[12]
Mass
+134.11[9]
Melting point
-51.45[10]
🏷️ Also known as
en isobutylbenzene de iso-Butylbenzol ja イソブチルベンゼン nl Isobutylbenzeen pl izobutylobenzen zh 异丁基苯 zh-hant 異丁基苯
🔖 Identifiers · 25
CAS Registry Number
538-93-2
ChEBI ID
43261
ChEMBL ID
CHEMBL195882
ChemSpider ID
10410
DSSTOX compound identifier
DTXCID707181
DSSTox substance ID
DTXSID6027181
EC number
208-706-2
ECHA Substance Infocard ID
100.007.916
Gmelin number
261101
Google Knowledge Graph ID
/g/1q5gh_vxh
InChI
InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey
KXUHSQYYJYAXGZ-UHFFFAOYSA-N
Show all 25 identifiers +13
J-GLOBAL ID
200907072183497805
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP001540, MSBNK-Fac_Eng_Univ_Tokyo-JP001677, MSBNK-Fac_Eng_Univ_Tokyo-JP011605, MSBNK-Fac_Eng_Univ_Tokyo-JP011976, MSBNK-Fac_Eng_Univ_Tokyo-JP012264, MSBNK-Fac_Eng_Univ_Tokyo-JP008088
NMRShiftDB structure ID
10016560
NSC number
24848
Nikkaji ID
J43.442F
PDB ligand ID
I4B
PubChem CID
10870
Reaxys registry number
1852218
SPLASH
splash10-0006-9100000000-8955415b16a78341ad8c, splash10-0006-9200000000-96f92d68bfc759e3eaee, splash10-0006-9100000000-441e2bdac95b54c434ff, splash10-0006-9200000000-d8735194392d0290615a, splash10-0a4i-9800000000-c2e7adf05d352b917e97
SureChEMBL ID
7.5M (57k–23.1M, n=3)
UNII
FI94T26KGB
UniChem compound ID
625854
ZVG number
490223

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🔗 Connections
Found in taxon 3
Vaccinium corymbosum, Cryptoporus volvatus, Vaccinium virgatum
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Summary

isobutylbenzene is a type of chemical entity[1]. isobutylbenzene is a type of butylbenzenes[2].

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

  1. [3] ↑ . PubChem. Retrieved . wikidata.org.
  2. [4] ↑ . PubChem. Retrieved . wikidata.org.
  3. [2] ↑ . wikidata.org.
  4. [5] ↑ . Cryptoporic acids A-G, drimane-type sesquiterpenoid ethers of isocitric acid from the fungus Cryptoporus volvatus. wikidata.org.
  5. [6] ↑ . Comparison of the Volatile Constituents from Rabbiteye Blueberries (Vaccinium ashei) During Ripening. wikidata.org.
  6. [7] ↑ . Comparison of the Volatile Constituents from Rabbiteye Blueberries (Vaccinium ashei) During Ripening. wikidata.org.
  7. [8] ↑ . Comparison of the Volatile Constituents from Rabbiteye Blueberries (Vaccinium ashei) During Ripening. wikidata.org.
  8. [9] ↑ . PubChem. Retrieved . wikidata.org.
  9. [10] ↑ . Basic laboratory and industrial chemicals: A CRC quick reference handbook. wikidata.org.
  10. [11] ↑ . Basic laboratory and industrial chemicals: A CRC quick reference handbook. wikidata.org.
  11. [12] ↑ . Basic laboratory and industrial chemicals: A CRC quick reference handbook. wikidata.org.

Class ancestry

  1. [1] ↑ . Wikidata. wikidata.org.

📑 Cite this page

Use these citations when quoting this entity in research, articles, AI prompts, or wherever provenance matters. We aggregate Wikidata + Wikipedia + authoritative open-data sources; the stitched, scored, cross-referenced view is what 4ort.xyz contributes.

APA 4ort.xyz Knowledge Graph. (2026). isobutylbenzene. Retrieved November 7, 2026, from https://4ort.xyz/entity/isobutylbenzene
MLA “isobutylbenzene.” 4ort.xyz Knowledge Graph, 4ort.xyz, 7 Nov. 2026, https://4ort.xyz/entity/isobutylbenzene.
BibTeX @misc{4ortxyz_isobutylbenzene_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{isobutylbenzene}}, year = {2026}, url = {https://4ort.xyz/entity/isobutylbenzene}, note = {Accessed: 2026-11-07}}
LLM prompt According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): isobutylbenzene — https://4ort.xyz/entity/isobutylbenzene (retrieved 2026-11-07)

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Edit History

Rolling log of changes to this entity's Wikidata record. Values shown reflect the current state of each edited property — follow the history link to see the precise diff for any edit.

  1. 25w ago · KaleemBot bot · 2026-05-15 view diff on Wikidata ↗
    Instance of → type of chemical entity
    Found in taxon → Cryptoporus volvatus, Vaccinium ashei, Vaccinium virgatum +1
    Melting point → {'unit': 'Q25267', 'amount': '-51.45'}
    Instance of → —
    + 6 other properties edited (see Wikidata diff for full list)
    "/* wbeditentity-update:0| */ Added [[wikipedia:ur:آئیسو بیوٹائل بینزین]]"
Live feed via Wikidata EventStreams. New edits appear within minutes of being made on Wikidata.