Sebacic Acid

HCID 5192CAS 111-20-6

Basic information

Standard SMILES
O=C(O)CCCCCCCCC(=O)O
InChIKey
CXMXRPHRNRROMY-UHFFFAOYSA-N
Molecular formula
C10H18O4
Average molar mass
202.25 g/mol
Monoisotopic mass
202.12050906

Overview

Sebacic acid is a white granular powder. Melting point 153 °F. Slightly soluble in water. Sublimes slowly at 750 mmHg when heated to melting point.

Names & identifiers

Preferred name
Sebacic Acid
IUPAC
decanedioic acid

Names & synonyms

sebacic acidDECANEDIOIC ACID111-20-61,8-Octanedicarboxylic acid1,10-Decanedioic acidSebacinsaureDecanedicarboxylic acidn-Decanedioic acidAcide sebaciqueSebacinsaeureUSAF HC-1Ipomic acid
Show more names
1,8-dicarboxyoctaneDTXSID702686797AN39ICTCNSC-19492DTXCID806867FEMA NO. 4943CHEBI:41865RefChem:9117

Database identifiers

CAS
111-20-6
PubChem CID
5192
DTXSID
DTXSID7026867
ChEMBL
CHEMBL1232164
ChEBI
CHEBI:41865
UNII
97AN39ICTC
EC Number
203-845-5
Nikkaji
J10.109E

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
14

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Organic Acids
DrugsPharmaceuticals -> Listed in ZINC15
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]
Cosmetics · 2 items

Cosmetic ingredients (Sebacic Acid) -> CIR (Cosmetic Ingredient Review)

Buffering

SpringerMaterials PropertiesBoiling point
Pesticides · 2 items

Repellants

Active substance -> EU Pesticides database: Not approved

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 99.5% (2752 of 2766) of all reports.

Not Classified

Aggregated GHS information provided per 2766 reports by companies from 9 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 5 items

Chemical: Decanedioic acid

Decanedioic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Decanedioic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

2004/129/EC

Status: Active Update: 23-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29447

Decanedioic acid: Non hazardous

Other Safety InformationIMAP assessments - Decanedioic acid: Human health tier I assessment
Fire Hazards · 2 items

Flash point data for this compound are not available. It is probably combustible. (NTP, 1992)

Combustible. Finely dispersed particles form explosive mixtures in air.

Health HazardsSYMPTOMS: This compound may cause irritation.
Hazards Summary · 1 item

Causes somnolence, excitement, and effects on food intake in oral lethal-dose studies of rats; Causes impaired liver function tests and effects on CNS in repeated-dose inhalation studies of rats; [RTECS] No listed effects of short-term or long-term exposure (health effects not fully investigated); [ICSC] May cause irritation; [NTP] May cause irritation; [Acros Organics MSDS]

Reactive GroupAcids, Carboxylic

Safety & protection

Fire Fighting · 2 items

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

Use foam, dry powder, carbon dioxide.

First Aid Measures · 4 items

Fresh air, rest.

Rinse and then wash skin with water and soap.

Rinse with plenty of water (remove contact lenses if easily possible).

Rinse mouth.

First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Safe StorageSeparated from strong oxidants and strong bases.
Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Spillage DisposalPersonal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting.

Toxicology

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Exposure RoutesThe substance can be absorbed into the body by ingestion.
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Toxicity DataLC50 (rat) > 4,500 mg/m3

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

Uses · 3 items

CIR ingredient: Sebacic Acid

Used as a raw material for alkyd and polyester resins, plasticizers, polyester rubbers, and polyamide synthetic fibers; [Merck Index] Used as a topical emollient; [ExPub: TERIS] Used as a stabilizer in alkyd resins, maleic and other polyesters, polyurethanes, and fibers; Also used in paint products, candles, perfumes, low temperature lubricants, and hydraulic fluids, and to make nylon; [NTP]

Painting (Pigments, Binders, and Biocides) [Category: Paint]

U.S. Production2023: 100,000,000 - <500,000,000 lb
Consumer UsesLubricating agent
Industry UsesWetting agent (non-aqueous)
Use ClassificationCosmetics -> Buffering
General Manufacturing Information · 2 items

Paint and Coating Manufacturing

Decanedioic acid: ACTIVE

Related reactions

36 records

Linked notes

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