{
 "license": "https://creativecommons.org/licenses/by/4.0/",
 "id": "hicc",
 "type": "Molecule",
 "version": 1,
 "updated": "2026-09-30",
 "station": 4,
 "confidence": "A",
 "sources": [
  "PUBCHEM-91604",
  "IFRA-044",
  "EU-2009-1223",
  "EU-2017-1410"
 ],
 "name": {
  "value": "hydroxyisohexyl 3-cyclohexene carboxaldehyde (HICC)",
  "evidence": "documented",
  "source": "EU-2009-1223",
  "where": "docs/sources/EU-2009-1223-cosmetics-regulation.md:23",
  "quote": "79 3 and 4-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde Hydroxyisohexyl 3-cyclohexene carboxaldehyde 51414-25-6/31906-04-4",
  "confidence": "A",
  "note": "the INCI name EU law uses; IFRA calls it HMPCC; PubChem’s title for CID 91604 is \"Liral\", a trade name"
 },
 "cas": {
  "value": "31906-04-4",
  "evidence": "documented",
  "source": "PUBCHEM-91604",
  "where": "reports/plan-steps/step7/pubchem/cid-91604.synonyms.json:7",
  "quote": "31906-04-4",
  "confidence": "A",
  "note": "among the CID’s PubChem synonyms, and PubChem resolves it back to this CID"
 },
 "pubchem_cid": {
  "value": 91604,
  "evidence": "documented",
  "source": "PUBCHEM-91604",
  "where": "reports/plan-steps/step7/pubchem/cid-91604.property.json:5",
  "confidence": "A"
 },
 "formula": {
  "value": "C13H22O2",
  "evidence": "documented",
  "source": "PUBCHEM-91604",
  "where": "reports/plan-steps/step7/pubchem/cid-91604.property.json:6",
  "confidence": "A"
 },
 "molecular_weight": {
  "value": 210.31,
  "evidence": "documented",
  "source": "PUBCHEM-91604",
  "where": "reports/plan-steps/step7/pubchem/cid-91604.property.json:7",
  "confidence": "A",
  "note": "g/mol, as PubChem states it"
 },
 "iupac_name": {
  "value": "4-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde",
  "evidence": "documented",
  "source": "PUBCHEM-91604",
  "where": "reports/plan-steps/step7/pubchem/cid-91604.property.json:10",
  "confidence": "A"
 },
 "smiles": {
  "value": "CC(C)(CCCC1=CCC(CC1)C=O)O",
  "evidence": "documented",
  "source": "PUBCHEM-91604",
  "where": "reports/plan-steps/step7/pubchem/cid-91604.property.json:8",
  "confidence": "A"
 },
 "inchikey": {
  "value": "ORMHZBNNECIKOH-UHFFFAOYSA-N",
  "evidence": "documented",
  "source": "PUBCHEM-91604",
  "where": "reports/plan-steps/step7/pubchem/cid-91604.property.json:9",
  "confidence": "A"
 },
 "conformer": {
  "kind": "PubChem computed 3D conformer",
  "conformer_id": "000165D400000003",
  "units": "angstrom",
  "evidence": "modeled",
  "source": "PUBCHEM-91604",
  "where": "reports/plan-steps/step7/pubchem/cid-91604.3d.sdf:230",
  "note": "PubChem’s computed 3D conformer (the 3D SDF record): a model, drawn schematically, not an experimental structure",
  "atoms": [
   {
    "i": 1,
    "el": "O",
    "xyz": [
     4.139,
     -0.4491,
     0.1489
    ]
   },
   {
    "i": 2,
    "el": "O",
    "xyz": [
     -1.5711,
     2.3161,
     0.4839
    ]
   },
   {
    "i": 3,
    "el": "C",
    "xyz": [
     -1.0249,
     -1.3164,
     0.2045
    ]
   },
   {
    "i": 4,
    "el": "C",
    "xyz": [
     -3.1357,
     0.6337,
     -0.2332
    ]
   },
   {
    "i": 5,
    "el": "C",
    "xyz": [
     -1.3895,
     -0.9456,
     -1.2097
    ]
   },
   {
    "i": 6,
    "el": "C",
    "xyz": [
     -2.795,
     -0.3509,
     -1.3509
    ]
   },
   {
    "i": 7,
    "el": "C",
    "xyz": [
     0.1864,
     -2.1862,
     0.368
    ]
   },
   {
    "i": 8,
    "el": "C",
    "xyz": [
     1.4376,
     -1.5403,
     -0.2313
    ]
   },
   {
    "i": 9,
    "el": "C",
    "xyz": [
     -2.9351,
     0.0137,
     1.1535
    ]
   },
   {
    "i": 10,
    "el": "C",
    "xyz": [
     1.7617,
     -0.2126,
     0.4676
    ]
   },
   {
    "i": 11,
    "el": "C",
    "xyz": [
     3.0564,
     0.4684,
     -0.0207
    ]
   },
   {
    "i": 12,
    "el": "C",
    "xyz": [
     -1.7392,
     -0.8884,
     1.2591
    ]
   },
   {
    "i": 13,
    "el": "C",
    "xyz": [
     2.9867,
     0.8685,
     -1.4961
    ]
   },
   {
    "i": 14,
    "el": "C",
    "xyz": [
     3.3453,
     1.7014,
     0.8421
    ]
   },
   {
    "i": 15,
    "el": "C",
    "xyz": [
     -2.3226,
     1.8877,
     -0.3857
    ]
   },
   {
    "i": 16,
    "el": "H",
    "xyz": [
     -4.1828,
     0.9463,
     -0.3314
    ]
   },
   {
    "i": 17,
    "el": "H",
    "xyz": [
     -0.6635,
     -0.2164,
     -1.5888
    ]
   },
   {
    "i": 18,
    "el": "H",
    "xyz": [
     -1.3247,
     -1.8291,
     -1.8562
    ]
   },
   {
    "i": 19,
    "el": "H",
    "xyz": [
     -2.8867,
     0.1276,
     -2.3337
    ]
   },
   {
    "i": 20,
    "el": "H",
    "xyz": [
     -3.5277,
     -1.1687,
     -1.3324
    ]
   },
   {
    "i": 21,
    "el": "H",
    "xyz": [
     0.3681,
     -2.4183,
     1.425
    ]
   },
   {
    "i": 22,
    "el": "H",
    "xyz": [
     0.0049,
     -3.1469,
     -0.1295
    ]
   },
   {
    "i": 23,
    "el": "H",
    "xyz": [
     1.3182,
     -1.3976,
     -1.31
    ]
   },
   {
    "i": 24,
    "el": "H",
    "xyz": [
     2.2684,
     -2.2434,
     -0.1004
    ]
   },
   {
    "i": 25,
    "el": "H",
    "xyz": [
     -3.8176,
     -0.5916,
     1.3983
    ]
   },
   {
    "i": 26,
    "el": "H",
    "xyz": [
     -2.8722,
     0.7871,
     1.928
    ]
   },
   {
    "i": 27,
    "el": "H",
    "xyz": [
     0.9327,
     0.4954,
     0.3519
    ]
   },
   {
    "i": 28,
    "el": "H",
    "xyz": [
     1.8588,
     -0.4189,
     1.5423
    ]
   },
   {
    "i": 29,
    "el": "H",
    "xyz": [
     -1.4527,
     -1.191,
     2.263
    ]
   },
   {
    "i": 30,
    "el": "H",
    "xyz": [
     2.899,
     -0.0044,
     -2.1511
    ]
   },
   {
    "i": 31,
    "el": "H",
    "xyz": [
     2.1419,
     1.5372,
     -1.6907
    ]
   },
   {
    "i": 32,
    "el": "H",
    "xyz": [
     3.9077,
     1.3794,
     -1.8007
    ]
   },
   {
    "i": 33,
    "el": "H",
    "xyz": [
     2.5485,
     2.4477,
     0.7596
    ]
   },
   {
    "i": 34,
    "el": "H",
    "xyz": [
     4.292,
     2.169,
     0.548
    ]
   },
   {
    "i": 35,
    "el": "H",
    "xyz": [
     3.4549,
     1.4232,
     1.8965
    ]
   },
   {
    "i": 36,
    "el": "H",
    "xyz": [
     -2.45,
     2.4316,
     -1.3376
    ]
   },
   {
    "i": 37,
    "el": "H",
    "xyz": [
     4.0867,
     -1.1226,
     -0.5497
    ]
   }
  ],
  "bonds": [
   {
    "a": 1,
    "b": 11,
    "order": 1
   },
   {
    "a": 1,
    "b": 37,
    "order": 1
   },
   {
    "a": 2,
    "b": 15,
    "order": 2
   },
   {
    "a": 3,
    "b": 5,
    "order": 1
   },
   {
    "a": 3,
    "b": 7,
    "order": 1
   },
   {
    "a": 3,
    "b": 12,
    "order": 2
   },
   {
    "a": 4,
    "b": 6,
    "order": 1
   },
   {
    "a": 4,
    "b": 9,
    "order": 1
   },
   {
    "a": 4,
    "b": 15,
    "order": 1
   },
   {
    "a": 4,
    "b": 16,
    "order": 1
   },
   {
    "a": 5,
    "b": 6,
    "order": 1
   },
   {
    "a": 5,
    "b": 17,
    "order": 1
   },
   {
    "a": 5,
    "b": 18,
    "order": 1
   },
   {
    "a": 6,
    "b": 19,
    "order": 1
   },
   {
    "a": 6,
    "b": 20,
    "order": 1
   },
   {
    "a": 7,
    "b": 8,
    "order": 1
   },
   {
    "a": 7,
    "b": 21,
    "order": 1
   },
   {
    "a": 7,
    "b": 22,
    "order": 1
   },
   {
    "a": 8,
    "b": 10,
    "order": 1
   },
   {
    "a": 8,
    "b": 23,
    "order": 1
   },
   {
    "a": 8,
    "b": 24,
    "order": 1
   },
   {
    "a": 9,
    "b": 12,
    "order": 1
   },
   {
    "a": 9,
    "b": 25,
    "order": 1
   },
   {
    "a": 9,
    "b": 26,
    "order": 1
   },
   {
    "a": 10,
    "b": 11,
    "order": 1
   },
   {
    "a": 10,
    "b": 27,
    "order": 1
   },
   {
    "a": 10,
    "b": 28,
    "order": 1
   },
   {
    "a": 11,
    "b": 13,
    "order": 1
   },
   {
    "a": 11,
    "b": 14,
    "order": 1
   },
   {
    "a": 12,
    "b": 29,
    "order": 1
   },
   {
    "a": 13,
    "b": 30,
    "order": 1
   },
   {
    "a": 13,
    "b": 31,
    "order": 1
   },
   {
    "a": 13,
    "b": 32,
    "order": 1
   },
   {
    "a": 14,
    "b": 33,
    "order": 1
   },
   {
    "a": 14,
    "b": 34,
    "order": 1
   },
   {
    "a": 14,
    "b": 35,
    "order": 1
   },
   {
    "a": 15,
    "b": 36,
    "order": 1
   }
  ]
 },
 "descriptors": {
  "value": null,
  "evidence": null,
  "source": null,
  "where": null,
  "confidence": null,
  "note": "no descriptor on record: no house wording on a data file, no descriptor source filed"
 },
 "threshold": {
  "value": null,
  "unit": null,
  "medium": null,
  "method": null,
  "evidence": null,
  "source": null,
  "where": null,
  "date": null,
  "confidence": null,
  "note": "no odour-threshold source in the repository"
 },
 "occurrence": [],
 "volatility_class": {
  "value": null,
  "evidence": null,
  "source": null,
  "where": null,
  "confidence": null,
  "note": "no volatility class on record for hicc (data/1b/volatility.json has no entry)"
 },
 "regulation": {
  "value": [
   "ifra-hmpcc",
   "eu-2009-1223",
   "eu-2017-1410"
  ],
  "evidence": "documented",
  "source": "IFRA-044",
  "sources": [
   "EU-2009-1223",
   "EU-2017-1410"
  ],
  "where": "docs/sources/IFRA-044-hmpcc.md:14",
  "quote": "Amendment 49 3 and 4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyde (HMPCC)",
  "confidence": "A",
  "note": "Lane 20: the Regulation records that apply to it (educational summaries as of 2026-09-30; not compliance advice)"
 },
 "media": [],
 "links": {
  "explorer": "/science#mol-explorer"
 },
 "copy": {
  "lede": "Hydroxyisohexyl 3-cyclohexene carboxaldehyde, HICC, was a muguet material of the twentieth century; EU law now prohibits it in cosmetic products.",
  "body": [
   "From 23 August 2019 cosmetic products containing it could not be placed on the EU market. IFRA’s Standard, published in 2020, restricts it. Its identity is PubChem’s."
  ]
 },
 "descriptor_links": []
}