Dicaprylyl Ether

HCID 12399

Basic information

CAS
629-82-3
Standard SMILES
CCCCCCCCOCCCCCCCC
InChIKey
NKJOXAZJBOMXID-UHFFFAOYSA-N
Molecular formula
C16H34O
Average molar mass
242.44 g/mol
Monoisotopic mass
242.26096571

Overview

Di-n-octyl ether is a liquid. (NTP, 1992)

Names & identifiers

Preferred name
Dicaprylyl Ether
IUPAC
1-octoxyoctane
English name
DIOCTYL ETHER
Molecular formula
C16H34O
Molecular weight
242.44

Names & synonyms

Dioctyl ether629-82-3Di-n-octyl etherOctyl etherDicaprylyl etherOctane, 1,1'-oxybis-1-(Octyloxy)octaneEINECS 211-112-6Octane, 1,1'-oxybis-,UNII-77JZM5516ZBRN 1748226AI3-09528
Show more names
N-OCTYL ETHERCaprylic etherAntarOCTYL EITHERcaprylicether
77JZM5516ZNSC-28948DTXSID20862324EC 211-112-64-01-00-01760 (Beilstein Handbook Reference)CETIOL OEDinoctyl ethernDioctyl ether

Database identifiers

CAS
629-82-3
PubChem CID
12399
DTXSID
DTXSID20862324
ChEBI
CHEBI:88651
UNII
77JZM5516Z
EC Number
211-112-6、692-043-2
Nikkaji
J27.108J

Properties

Computed structural properties

XLogP
6.9
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
14
Heavy atoms
17

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Ethers, Other
Cosmetics · 3 items

Cosmetic ingredients (Dicaprylyl Ether) -> CIR (Cosmetic Ingredient Review)

Solvent

Personal care product

SpringerMaterials PropertiesDensity
Density0.82 (NTP, 1992) - Less dense than water; will float
Flash Pointgreater than 212 °F (NTP, 1992)
Boiling Point572 °F at 760 mmHg (NTP, 1992)

Physicochemical properties

Melting point
7.6 °C · −7.6 °C(lit.)
Boiling point
286 · 286-287 °C(lit.)
Density
0.806 g/mL · 0.806 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.433(lit.)
Flash point
230 °F · >230 °F
storage temp.
2 · Storage temp. 2-8°C

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 100% (173 of 173) of all reports.

Not Classified

Aggregated GHS information provided per 173 reports by companies from 1 notifications to the ECHA C&L Inventory.

This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.

Not Classified

Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 4 items

Chemical: Octane, 1,1'-oxybis-

Octane, 1,1'-oxybis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octane, 1,1'-oxybis- 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)

Status: Active Update: 20-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/2013

Octyl ether: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [MSDSonline]
Reactive GroupEthers
Reactivity AlertsPeroxidizable Compound
Reactivity Profile · 1 item

DI-N-OCTYL ETHER, an ether, can act as a base. They form salts with strong acids and addition complexes with Lewis acids. The complex between diethyl ether and boron trifluoride is an example. Ethers may react violently with strong oxidizing agents. In other reactions, which typically involve the breaking of the carbon-oxygen bond, ethers are relatively inert.

Air and Water Reactions · 1 item

Ethers tend to form unstable peroxides when exposed to oxygen. Ethyl, isobutyl, ethyl tert-butyl, and ethyl tert-pentyl ether are particularly hazardous in this respect. Ether peroxides can sometimes be observed as clear crystals deposited on containers or along the surface of the liquid.

Safety & protection

Fire FightingTo extinguish a fire involving this chemical you may use a dry chemical, carbon dioxide, foam or halon extinguisher; a water spray may also be used. (NTP, 1992)
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.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol 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 alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter.

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome
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

Safety data

PPE
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk
1
tsca
TSCA listed
rtecs
RH8800000
hs_code
29091990
safety_code
23-24/25

Chemistry & industry

Uses & manufacturing

Uses · 2 items

CIR ingredient: Dicaprylyl Ether

Used as an analytical reagent; [MSDSonline]

U.S. Production2023: 250,000 - <400,000 lb
Industry UsesNot Known or Reasonably Ascertainable
Household ProductsInformation on 27 consumer products that contain Dicaprylyl ether in the following categories is provided:
Use ClassificationCosmetics -> Solvent
General Manufacturing Information · 2 items

Not Known or Reasonably Ascertainable

Octane, 1,1'-oxybis-: ACTIVE

Applications · 3 items

UsesDioctyl ether has been used in the preparation of:11nm-sized monodisperse iron nanoparticlescobalt ferrite nanocrystals with a particle diameter of 6nmCoPt-polymer nanostructured composites

Usesdicaprylyl ether is a skin-conditioning agent.

General DescriptionLiquid.

Suppliers100 total

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

Additional notes

DefinitionChEBI: 1,1'-Oxybisoctane is an ether.

Related reactions

6 records

Compound notes

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CAS 629-82-3 Dicaprylyl Ether (HCID 12399)|Huagongshe