Oleoyl chloride (HCID 5364783)

Names & identifiers

Preferred name: Oleoyl chloride
IUPAC: (Z)-octadec-9-enoyl chloride
English name: OLEOYL CHLORIDE
Molecular formula: C18H33ClO
Molecular weight: 300.91

Names & synonyms

Oleoyl chlorideOleic acid chloride112-77-69-Octadecenoyl chloride, (Z)-Oleic chloride(9Z)-octadec-9-enoyl chlorideU83VP176UX9-Octadecenoyl chloride, (9Z)-EINECS 204-005-0NSC 97299NSC-97299cis-9-octadecenoyl chloride

Show more names

OleoyleoyLOleoylChloride>OLEIC ACID CHLORIDEOCTADECENOYLCHLORIDEOleoyl chloride >=89%9-OCTADECENOYL CHLORIDE(z)-9-octadecenoylchlorid

(Z)-9-Octadecenoyl chlorideEC 204-005-09-(Z)-OCTADECEN-1-OYL CHLORIDERefChem:8565329-Octadecenoyl chloride, (Z)-(9CI)204-005-0Oleyl chloride(Z)-octadec-9-enoyl chloride

Database identifiers

CAS: 112-77-6
PubChem CID: 5364783
DTXSID: DTXSID70893143
UNII: U83VP176UX
EC Number: 204-005-0
Nikkaji: J193.606I

Properties

Computed structural properties

XLogP: 8.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 15
Heavy atoms: 20
Formal charge: 0
Complexity: 236

Experimental & physicochemical properties

Physical DescriptionLiquid

Physicochemical properties

Boiling point: 193 °C/4 · 193 °C/4 mmHg (lit.)
Density: 0.91 g/mL · 0.91 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.463(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 20 °C · −20°C
solubility: Chloroform (Slightly)
form: Oil
Specific Gravity: 0.912 · 0.912
color: Clear Colourless to Pale Beige
BRN: 1211748 · 1211748
Stability: Moisture Sensitive
InChI: InChI=1S/C18H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3/b10-9-
InChIKey: MLQBTMWHIOYKKC-KTKRTIGZSA-N
SMILES: C(Cl)(=O)CCCCCCC/C=C\CCCCCCCC
CAS DataBase Reference: 112 · 112-77-6(CAS DataBase Reference)
FDA UNII: 83 VP176UX · U83VP176UX
EPA Substance Registry System: 9 · 9-Octadecenoyl chloride, (9Z)- (112-77-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29161900 · 29161900
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 63 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 4 items

Chemical: 9-Octadecenoyl chloride, (Z)-

9-Octadecenoyl chloride, (9Z)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9-Octadecenoyl chloride, (9Z)- 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: Cease Manufacture Update: 23-08-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/6870

Oleoyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 9-Octadecenoyl chloride, (Z)-: Human health tier I assessment

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29161900
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
REACH Registrations: Active
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 500,000 - <1,000,000 lb

Industry UsesSurfactant (surface active agent)

General Manufacturing Information · 2 items

Construction

9-Octadecenoyl chloride, (9Z)-: ACTIVE

Applications · 3 items

UsesOleyl Chloride is used as a chemical reagent in the preparation of Vitamin E analogs as well as antiviral nucleoside phosphoramidate prodrugs used in the treatment of HIV and HBV.

UsesOleoyl chloride may be used:in the chemical modification of the jute fibbers to confer hydrophobicity and resistance to biofibersin the synthesis of Oleoyl-S-lipoate, via reaction with dihydrolipoatein the preparation of symmetrical triglyceride, 2-oleoyl distearinin the preparation of ergosteryl oleate

General DescriptionOleoyl chloride is a fatty acid derivative.