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Quality
Toxicity & Safety
Receptors

Compound Summary

General Compound Information

1-hexanol

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Description

Hexan-1-ol is a primary alcohol that is hexane substituted by a hydroxy group at position 1. It has a role as a plant metabolite. It is a primary alcohol and a hexanol.

Synonyms

1-Hexanol; Hexan-1-ol; Hexyl alcohol; 111-27-3; HEXANOL;

n-Hexanol;n-Hexyl alcohol;Amylcarbinol;1-Hydroxyhexane;1-Hexyl alcohol;Caproyl alcohol;Pentylcarbinol;Caproic alcohol;n-Hexan-1-ol;C6 alcohol;Alcohol(C6);Hexanol (VAN);EPAL 6;Hexyl alcohol (natural);Alcohol C-6;FEMA No. 2567;NSC 9254;MFCD00002982;Hexanol-(1);6CP2QER8GS;25917-35-5;DTXSID8021931;CHEBI:87393;NSC-9254;DTXCID201931;Caswell No. 482E;Hydroxyhexane;Hexanols;FEMA Number 2567;CAS-111-27-3;HE2;HSDB 565;EINECS 203-852-3;UNII-6CP2QER8GS;EPA Pesticide Chemical Code 079047;BRN 0969167;Caproalcohol;Hexalcohol;HEXYL ALCOHOL, ACTIVE;n-hexylalcohol;AI3-08157;N-hexenol;Nat.Hexanol;Exxal 6;EINECS 247-346-0;HEXANOL-CMPD;Exxal 6 (Salt/Mix);BDBM9;1-Hexanol, 98%;Hexyl alcohol, FCC, FG;1-HEXANOL [HSDB];1-HEXANOL [MI];EC 203-852-3;n-C6H13OH;SCHEMBL1877;HEXYL ALCOHOL [FCC];NATURAL HEXYL ALCOHOL;C6H13OH;HEXYL ALCOHOL [FHFI];HEXYL ALCOHOL [INCI];WLN: Q6;4-01-00-01694 (Beilstein Handbook Reference);MLS001055374;UN 2282 (Salt/Mix);BIDD:ER0298;CHEMBL14085;1-Hexanol, analytical standard;1-Hexanol, anhydrous, >=99%;NSC9254;1-Hexanol, reagent grade, 98%;DTXSID001022586;HMS3039L08;BCP29486;ZINC1699882;Tox21_201335;Tox21_302953;LMFA05000117;STL282713;UN2282;AKOS009031422;HY-W032022;Alcohol C-6, Natural, Natural Hexanol;1-Hexanol, purum, >=98.0% (GC);1-Hexyl alcohol pound>>1-Hexylalcohol;NCGC00090949-01;NCGC00090949-02;NCGC00256385-01;NCGC00258887-01;Hexanols [UN2282] [Flammable liquid];LS-13216;SMR000677945;1-Hexanol, SAJ special grade, >=99.0%;1-Hexanol, Vetec(TM) reagent grade, 98%;CS-0076046;FT-0607887;H0130;Hexyl alcohol, natural, >=98%, FCC, FG;EN300-19338;Q76933;1-Hexanol, ReagentPlus(R), >=99.5% (GC);J-002549;F0001-0237;Z104473568;

FlavorDB ID

274

PUBCHEM ID

8103

Molecular Weight

102.17

Molecular Formula

C6H14O

Openeye Can Smiles

CCCCCCO

IUPAC Inchikey

ZSIAUFGUXNUGDI-UHFFFAOYSA-N

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Similarity

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Compound Classification

Classification (Parent Nodes)

ClassyFire Ontology

Compound Quality

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell	green, grassy	5.900e+2 µmol/L		details
smell	green, grassy	5.775e+0 µmol/L		details
smell	fruity, green	1.546e-3 µmol/L		details

Compound Toxicity and Food Additive Safety (OFAS)

Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database

Food Additive Safety (OFAS)
HEXYL ALCOHOL is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.

Receptors

Receptor	REFERENCE	EC50 [µM]	Effective Concentration [µM]
OR1G1	details	Activated
OR2W1	details	Activated
OR5P3	details	Activated

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive