White mineral oil, petroleum (CED0001380)

Record Information

Version

1.0

Creation Date

2016-05-19 04:45:12 UTC

Update Date

2026-04-14 18:07:13 UTC

Accession Number

CHEM015174

Identification

Common Name

White mineral oil, petroleum

Class

Small Molecule

Description

White mineral oil, petroleum is an organic compound with the formula C13H28 and an average molecular weight of 184.36 g/mol. White mineral oil, petroleum belongs to the alkanes, a subclass of saturated hydrocarbons within the organic compounds. This substance serves a wide variety of industrial roles and uses. It is utilized as a lubricating agent, solvent, diluent, and cleaning agent. In industrial formulations, it functions as a viscosity modifier, thickening agent, filler, and plasticizer. Additionally, it is employed as a defoamer, binder, emulsifier, solubility enhancer, fragrance, and adhesion/cohesion promoter, as well as a processing aid not otherwise specified or a degradant/impurity. White mineral oil, petroleum is found in one recorded source: healthcare, pharmaceuticals, and veterinary products, specifically within drugs for constipation. Recorded exposure routes for this compound include oral, rectal, topical, cutaneous, and ophthalmic administration.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
CH3-[CH2]11-CH3	ChEBI
N-Tridecane	ChEBI
Tridekan	ChEBI
(2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylate	HMDB
Alkanes, C12-14	HMDB
Lipid fragment	HMDB
TRD	HMDB

Chemical Formula

C₁₃H₂₈

Average Molecular Mass

184.361 g/mol

Monoisotopic Mass

184.219 g/mol

CAS Registry Number

8042-47-5

IUPAC Name

tridecane

Traditional Name

tridecane

SMILES

CCCCCCCCCCCCC

InChI Identifier

InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3

InChI Key

IIYFAKIEWZDVMP-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.

Kingdom

Organic compounds

Super Class

Hydrocarbons

Class

Saturated hydrocarbons

Sub Class

Alkanes

Direct Parent

Alkanes

Alternative Parents

Not Available

Substituents

Acyclic alkane
Alkane
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

long-chain alkane (CHEBI:35998 )
Hydrocarbons (C13834 )
Hydrocarbons (LMFA11000001 )
an alkane (CPD-7949 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	9.6e-05 g/L	ALOGPS
logP	6.85	ALOGPS
logP	6.24	ChemAxon
logS	-6.3	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	61.62 m³·mol⁻¹	ChemAxon
Polarizability	26.96 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum	splash10-00di-9100000000-e02925c17a895ade560b	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-0596-9000000000-562483fea4bbcff9f5aa	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-052f-9000000000-4ac0138633416b7e1a3c	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-052f-9000000000-0ce01dfea4481d77cbe6	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-001i-3900000000-f603ed062b076f6497be	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-00di-9100000000-e02925c17a895ade560b	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0abm-9400000000-2c3735e07b32c6c6b4ca	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0900000000-8079a05e43e9bd02a1d9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-4900000000-05a61cd09db39cf83d9e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052f-9100000000-86f0930544216341fffc	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0900000000-070d391ddaf16d606333	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0900000000-071c96e42609ae254661	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00lr-6900000000-3b868142f127b511f3bd	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0k9i-9600000000-c61715af80b820df7164	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9000000000-f16a65faf0726abeea34	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-bcde98356b997aa82615	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0900000000-db390682349bf97573f3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0900000000-db390682349bf97573f3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-3900000000-1d9ddcb43b2003c4ab9d	Not Available	View Spectrum
MS	MS Spectrum	splash10-052f-9000000000-9b4e58268ac1e421eaa7	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
5484.0	Log mg/kg	[3100:9800]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
253	Drugs for constipation	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

1 pathway

Mineral oil Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Phospholipase B	Q9P8P2	Cryptococcus neoformans	Predicted (SEA)	0.155698
Click to view 3D structure	All-trans-retinol dehydrogenase [NAD(+)] ADH7	P40394	Humans	Predicted (SEA)	0.311397
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	15.9591
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	12.1445
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	15.1806
Click to view 3D structure	Sodium- and chloride-dependent creatine transporter 1	P28570	Rattus norvegicus	Predicted (SEA)	0.155698
Click to view 3D structure	G-protein coupled receptor 84	Q9NQS5	Humans	Predicted (SEA)	2.95827
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	7.39568
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	26.313
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	23.2769
Click to view 3D structure	CAI-1 autoinducer sensor kinase/phosphatase CqsS	Q9KM66	Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)	Predicted (SEA)	1.40129
Click to view 3D structure	Sarcoplasmic/endoplasmic reticulum calcium ATPase 3	Q64518	Mus musculus	Predicted (SEA)	4.7488
Click to view 3D structure	Geranylgeranyl pyrophosphate synthase	O95749	Humans	Predicted (SEA)	2.10193
Click to view 3D structure	Farnesyl pyrophosphate synthase	Q0GKD7	Leishmania donovani	Predicted (SEA)	1.55698
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	47.0988
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	46.6317
Click to view 3D structure	Farnesyl pyrophosphate synthase	P14324	Humans	Predicted (SEA)	2.80257
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	2.56902
Click to view 3D structure	Fatty-acid amide hydrolase 1	O08914	Mus musculus	Predicted (SEA)	17.1268
Click to view 3D structure	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	1.32344
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	27.4029
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	11.1324
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	1.08989
Click to view 3D structure	CG8425-PA [Drosophila melanogaster]	A1ZA98	Drosophila melanogaster	Predicted (SEA)	1.16774
Click to view 3D structure	Solute carrier family 22 member 2	Q9R0W2	Rattus norvegicus	Predicted (SEA)	0.778492