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Compound Summary

General Compound Information

phenol

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Description

Phenol is an organic hydroxy compound that consists of benzene bearing a single hydroxy substituent. The parent of the class of phenols. It has a role as a disinfectant, an antiseptic drug, a human xenobiotic metabolite and a mouse metabolite. It is a conjugate acid of a phenolate.

Synonyms

phenol; 108-95-2; carbolic acid; Hydroxybenzene; Phenic acid;

Oxybenzene;Phenylic acid;Phenylic alcohol;Benzenol;Monophenol;Phenyl hydrate;Phenyl hydroxide;PhOH;Monohydroxybenzene;Phenyl alcohol;Paoscle;Phenole;Izal;Phenol alcohol;Phenol, liquefied;Acide carbolique;Phenosmolin;Fenolo;Benzene, hydroxy-;Carbolsaure;Fenol;Liquid phenol;Liquefied phenol;Phenol, pure;Fenolo [Italian];Phenole [German];Rcra waste number U188;Campho-Phenique Gel;Phenol [JAN];Phenic;Carbolsaure [German];Campho-Phenique Liquid;NCI-C50124;Liquified Phenol;Phenol, molten;Baker's P & S liquid & Ointment;Carbolicum acidum;Fenol [Dutch, Polish];Baker's P and S Liquid and Ointment;Monohydroxy benzene;UN 2312 (molten);Acide carbolique [French];UN 1671 (solid);NSC 36808;Campho-Phenique Cold Sore Gel;Anbesol;Phenic alcohol;Synthetic phenol;2-allphenol;Phenol, dimer;RCRA waste no. U188;Phenol, liquified;MFCD00002143;UN1671;UN2312;UN2821;DTXSID5021124;AI3-01814;NSC-36808;CHEMBL14060;339NCG44TV;CHEBI:15882;ENT-1814;27073-41-2;Phenol, solid [UN1671] [Poison];Phenol, molten [UN2312] [Poison];NCGC00091454-04;Fenosmoline;Fenosmolin;Phenol, >=99.0%;17442-59-0;DTXCID501124;Caswell No. 649;phenylalcohol;hydroxy benzene;Phenol 100 microg/mL in Methanol;Phenol, liquid;Phenol, solid;Baker's p and s;Phenol, sulfurated;CAS-108-95-2;CCRIS 504;FEMA No. 3223;HSDB 113;(14C)Phenol;Phenol [USP:JAN];PHENOL (2,3,4,5,6-D5);EINECS 203-632-7;EPA Pesticide Chemical Code 064001;arenols;UNII-339NCG44TV;Benzophenol;Carbolsaeure;Karbolsaeure;acide phenique;Hydroxy-benzene;Phenol liquid;Phenol molten;Phenol synthetic;Phenol,liquified;Pandy's reagent;Cepastat lozenges;Phenol, labeled with carbon-14;Phenol (liquid);2-phenyl alcohol;Phenol, synthetic;Phenol, ultrapure;Phenol ACS grade;Paoscle (TN);Carbolic acid liquid;Phenol (TN);Phenol,(S);Phenol, ACS reagent;Carbolic acid, liquid;63496-48-0;1ai7;1li2;4i7l;Liquefied phenol (TN);PHENOL [VANDF];PHENOL [FHFI];PHENOL [HSDB];PHENOL [IARC];PHENOL [INCI];Phenol (JP17/USP);PHENOL [USP-RS];PHENOL [WHO-DD];Phenol, detached crystals;PHENOL [II];PHENOL [MI];Phenol, >=99%;PHENOL [MART.];WLN: QR;Liquefied phenol (JP17);bmse000290;bmse010026;C6H5OH;Fenol(DUTCH, POLISH);EC 203-632-7;PHENOL, 80% in ethanol;Phenol, LR, >=99%;65996-83-0;MLS001065591;Phenol (CGA 73330);Phenol, for molecular biology;BIDD:ER0293;PHENOL [EP MONOGRAPH];Phenol for disinfection (TN);Phenol, natural, 97%, FG;PHENOL [USP MONOGRAPH];Cuticura pain relieving ointment;CARBOLICUM ACIDUM [HPUS];Phenol, AR, >=99.5%;PHENOL,LIQUIFIED [VANDF];BDBM26187;CHEBI:33853;Phenol for disinfection (JP17);3f39;Phenol 10 microg/mL in Methanol;NSC36808;ZINC5133329;Phenol, Glass Distilled Under Argon;Tox21_113463;Tox21_201639;Tox21_300042;Phenol 5000 microg/mL in Methanol;STL194294;AKOS000119025;Tox21_113463_1;DB03255;NA 2821;Phenol, BioXtra, >=99.5% (GC);Phenol, SAJ first grade, >=98.0%;UN 1671;UN 2312;UN 2821;NCGC00091454-01;NCGC00091454-02;NCGC00091454-03;NCGC00091454-05;NCGC00091454-06;NCGC00091454-07;NCGC00254019-01;NCGC00259188-01;Phenol, JIS special grade, >=99.0%;61788-41-8;73607-76-8;AM802906;BP-30160;METHYL SALICYLATE IMPURITY B [EP];SMR000568492;Phenol 1000 microg/mL in Dichloromethane;Phenol, PESTANAL(R), analytical standard;Liquified Phenol (contains 7-10 % water);METACRESOL IMPURITY A [EP IMPURITY];FT-0645154;FT-0673707;FT-0693833;P1610;P2771;EN300-19432;C00146;D00033;Phenol, unstabilized, ReagentPlus(R), >=99%;SALICYLIC ACID IMPURITY C [EP IMPURITY];HEXYLRESORCINOL IMPURITY A [EP IMPURITY];Phenol, p.a., ACS reagent, 99.5-100.5%;Q130336;J-610001;Phenol, for molecular biology, ~90% (T), liquid;F1908-0106;Phenol, unstabilized, purified by redistillation, >=99%;Z104473830;Phenol, BioUltra, for molecular biology, >=99.5% (GC);Phenol, United States Pharmacopeia (USP) Reference Standard;Liquified Phenol, meets USP testing specifications, >=89.0%;Phenol, BioUltra, for molecular biology, TE-saturated, ~73% (T);phenol;phenol [jan];phenol, pure;phenol phenol [jan] phenol, pure;Phenol, puriss. p.a., ACS reagent, reag. Ph. Eur., 99.0-100.5%;Phenol, contains hypophosphorous as stabilizer, loose crystals, ACS reagent, >=99.0%;Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, 99.5-100.5% (GC);Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, >=99.5% (GC), crystalline (detached);

FlavorDB ID

3112

PUBCHEM ID

Molecular Weight

94.11 Molecular Formula

C6H6O

Openeye Can Smiles

C1=CC=C(C=C1)O

IUPAC Inchikey

ISWSIDIOOBJBQZ-UHFFFAOYSA-N

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Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database
Mouse, Subcutaneous, LD50: 0.3-0.35 g/kg. (Duplay and Cazin, 1891; Tollens, 1905). Rat, Subcutaneous, LD50: 0.45. (Deichmann and Witherup, 1944). Rat, Oral, LD50: 0.53. (Deichmann and Witherup, 1944). Rat, Oral, LD50: 0.65. (Flickinger, 1976). Rat, Cutaneous, LD50: 0.67. (Conning and Hayes, 1970).
Source: DrugBank or Hazardous Substances Data Bank (HSDB)

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

EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: Phenol

Reference point : Defined point on an experimental dose–response relationship for the critical effect. This term is synonymous to Point of departure (USA). Reference points include the lowest or no observed adverse effect level (LOAEL/NOAEL) or benchmark dose lower confidence limit (BDML), used to derive a reference value or Margin of Exposure in human and animal health risk assessment. In the ecological area, these include lethal dose (LD50), effect concentration (EC5/ECx), no (adverse) effect concentration/dose (NOEC/NOAEC/NOAED), no (adverse) effect level (NEL/NOAEL), hazard concentration (HC5/HCx) derived from a Species Sensitivity Distributions (SSD) for the ecosystem (EFSA Scientific Committee,2018). Citation: DOI 10.5281/zenodo.4740174

Output ID	SPECIES	Route	Duration Days	END POINT	QUALIFIER	VALUE	UNIT	EFFECT	Toxicity
2285	Mouse	oral: drinking water	28	LOAEL	=	1.8	mg/kg bw/day	haematology	systemic
2220	Rat	oral: gavage	10	BMDL10	=	52	mg/kg bw/day	body weight	reproductive
2220	Rat	oral: gavage	10	NOAEL	=	60	mg/kg bw	body weight	reproductive
2220	Rat	oral: gavage	10	NOAEL	=	120	mg/kg bw	development	teratogenic

Reference Value

Reference Value : The estimated maximum dose (on a body mass basis) or the concentration of an agent to which an individual may be exposed over a specified period without appreciable risk. Reference values are established by applying an uncertainty factor to the reference point. Examples of reference values in human health include acceptable daily intake (ADI) for food and feed additives, and pesticides, tolerable upper intake levels (UL) for vitamins and minerals, and tolerable daily intake (TDI) for contaminants and food contact materials. For acute effects and operators, the acute reference dose (ARfD) and the acceptable operator exposure level (AOEL). In animal health and the ecological area, these include safe feed concentrations and the Predicted no effect concentration (PNEC) respectively (EFSA Scientific Committee, 2018). Citation: DOI 10.5281/zenodo.4740174

OUTPUT ID	ASSESSMENT	QUALIFIER	VALUE	UNIT	POPULATION
2220	TDI	=	0.5	mg/kg bw/day	Consumers

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA AFC	2008	2285	Not determined
EFSA CEF	2013	2220	Negative

EFSA Outputs

Output ID	Title	DOI	Published
2220	Scientific Opinion on the toxicological evaluation of phenol	doi:10.2903/j.efsa.2013.3189	30Apr2013
2285	Flavouring Group Evaluation 88, (FGE.88). Consideration of Phenol and Phenol Derivatives evaluated by JECFA (55th meeting). Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food	doi:10.2903/j.efsa.2008.857	06Nov2008

Receptors

Receptor information of this compound is not available!

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive
Experimental LCMS	view	LCMS_Positive	positive
Experimental LCMS	view	LCMS_Negative	negative

Content

Compound Summary

phenol

Description

Phenol is an organic hydroxy compound that consists of benzene bearing a single hydroxy substituent. The parent of the class of phenols. It has a role as a disinfectant, an antiseptic drug, a human xenobiotic metabolite and a mouse metabolite. It is a conjugate acid of a phenolate.

Synonyms

phenol; 108-95-2; carbolic acid; Hydroxybenzene; Phenic acid;

FlavorDB ID

3112

PUBCHEM ID

996

Molecular Weight

94.11

Molecular Formula

C6H6O

Openeye Can Smiles

C1=CC=C(C=C1)O

IUPAC Inchikey

ISWSIDIOOBJBQZ-UHFFFAOYSA-N

Network

Shown in network

Similarity

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Content

Compound Summary

phenol

Description

Phenol is an organic hydroxy compound that consists of benzene bearing a single hydroxy substituent. The parent of the class of phenols. It has a role as a disinfectant, an antiseptic drug, a human xenobiotic metabolite and a mouse metabolite. It is a conjugate acid of a phenolate.

Synonyms

phenol; 108-95-2; carbolic acid; Hydroxybenzene; Phenic acid;

FlavorDB ID

3112

PUBCHEM ID

996

Molecular Weight

94.11

Molecular Formula

C6H6O

Openeye Can Smiles

C1=CC=C(C=C1)O

IUPAC Inchikey

ISWSIDIOOBJBQZ-UHFFFAOYSA-N

Network

Shown in network

Similarity

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OpenFoodTox: component Phenol

GC-MS Spectrum

GC-MS Spectrum

GC-MS Spectrum