1,2-Epoxyoctadecane

HCID 23872

Basic information

CAS
7390-81-0
Standard SMILES
CCCCCCCCCCCCCCCCC1CO1
InChIKey
QBJWYMFTMJFGOL-UHFFFAOYSA-N
Molecular formula
C18H36O
Average molar mass
268.5 g/mol
Monoisotopic mass
268.27661577

Overview

1,2-epoxyoctadecane appears as white waxy or chunky solid. (NTP, 1992)

Names & identifiers

Preferred name
1,2-Epoxyoctadecane
IUPAC
2-hexadecyloxirane
English name
1,2-Epoxyoctadecane
Molecular formula
C18H36O
Molecular weight
268.48

Names & synonyms

1,2-EPOXYOCTADECANE7390-81-02-HexadecyloxiraneHexadecyloxiraneOxirane, hexadecyl-1,2-Octadecylene OxideOxirane, 2-hexadecyl-octadecylene oxideO8GK4E0CVL1,2-OCTADECENE EPOXIDEOCTADECANE, 1,2-EPOXY-J91.342A
Show more names
hexadecyl-oxiranhexadecyl-OxiraneOxirane,hexadecyl-1-Octadecene oxide1,2-Octadecane oxide
DTXSID4025246RefChem:72061OCTADECENE EPOXIDEVIKOLOX 18DTXCID505246230-977-0MFCD00005152CCRIS 2619

Database identifiers

CAS
7390-81-0
PubChem CID
23872
DTXSID
DTXSID4025246
UNII
O8GK4E0CVL
EC Number
230-977-0
Nikkaji
J91.342A

Properties

Computed structural properties

XLogP
8.4
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
15
Heavy atoms
19

Experimental & physicochemical properties

PolymersPlastics & Rubber -> Epoxides
Density0.83 at 68 °F (NTP, 1992) - Less dense than water; will float
Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point279 °F at 0.5 mmHg (NTP, 1992)
Melting Point79 °F (NTP, 1992)

Physicochemical properties

Melting point
33 · 33-35°C
Boiling point
146 · 146-148°C 1mm
Density
0.9227 · 0.9227 (rough estimate)
refractive index
1.45 · 1.4500 (estimate)
Flash point
176 °C · 176°C
storage temp.
Store at room temperature

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 8.3% (4 of 48) of reports.

Warning

H315 (91.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

Hazard information

Regulatory InformationChemical: Oxirane, hexadecyl-
Other Safety InformationIMAP assessments - Long-chain alkyl oxiranes: Human health tier II assessment
Fire HazardsFlash point data for this chemical are not available, but it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This compound is a local irritant. (NTP, 1992)
Hazards SummaryMay violently polymerize; [CAMEO] A local irritant; [NTP] A skin and strong eye irritant; [Alfa Aesar MSDS]
Reactive GroupEpoxides

Safety & protection

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (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: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone 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.

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. (NTP, 1992)

Safety data

tsca
TSCA listed
hs_code
2910.90.9100
risk_code
36/38-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationOxirane, 2-hexadecyl-: ACTIVE

Applications

Uses1,2-Epoxyoctadecane can be used to produce octadecane-1,2-diol at heating. It is used in agrochemical, pharmaceutical and dyestuff field .

General DescriptionWhite waxy or chunky solid.

Upstream & downstream products

Suppliers55 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖北昔少年生物科技有限公司0711-3700636 18827410479
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

9 records

Compound notes

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