CAS 17746-05-3 Undecanoyl chloride (HCID 87287)

Names & identifiers

Preferred name: Undecanoyl chloride
IUPAC: undecanoyl chloride
English name: Undecanoyl chloride
Molecular formula: C11H21ClO
Molecular weight: 204.74

Names & synonyms

Undecanoyl chloride17746-05-3n-Undecanoyl chlorideX4P8V4D6P5EINECS 241-741-1NSC 83585NSC-83585DTXSID4066258RefChem:193092DTXCID2035645241-741-1JUKPJGZUFHCZQI-UHFFFAOYSA-N

Show more names

Undecane chlorideUndecanoyl chloridUndercanoyl chlorideHENDECANOYL CHLORIDEUNDECANOYLE CHLORIDEn-Hendecanoyl chloride

undecanoylchlorideC11H21ClOMFCD00000739NSC 83585; Undecanoic Acid Chlorideundecanoic acid chlorideUndecanoyl chloride, 99%Undecanoyl chloride, ~99%UNII-X4P8V4D6P5

Database identifiers

CAS: 17746-05-3
PubChem CID: 87287
DTXSID: DTXSID4066258
UNII: X4P8V4D6P5
EC Number: 241-741-1
Nikkaji: J110.170F

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 9
Heavy atoms: 13
Formal charge: 0
Complexity: 123

Physicochemical properties

Boiling point: 135 · 135-136 °C/20 mmHg (lit.)
Density: 0.93 g/mL · 0.93 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.443(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 20 °C · −20°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: clear liquid
Specific Gravity: 0.93 · 0.93
color: Colorless to Light yellow to Light orange
Sensitive: Moisture Sensitive
BRN: 1759226 · 1759226
Stability: Moisture Sensitive
InChI: InChI=1S/C11H21ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3
InChIKey: JUKPJGZUFHCZQI-UHFFFAOYSA-N
SMILES: C(Cl)(=O)CCCCCCCCCC
CAS DataBase Reference: 17746 · 17746-05-3(CAS DataBase Reference)
FDA UNII: 4 P8V4D6P5 · X4P8V4D6P5
EPA Substance Registry System: Undecanoyl chloride (17746-05-3)
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: 14 · 14-34
Safety Statements: 26 · 26-27-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
F: 10 · 10-19-21
TSCA: TSCA listed
HS Code: 2915 · 2915 90 70
HazardClass: 8 · 8
PackingGroup: III
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1B
REACH Registrations: Active
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

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 44 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationStatus: Active Update: 16-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16825

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

Safety data

F: 10-19-21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 2915 90 70
risk_code: 14-34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-27-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
REACH Registrations: Active
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationUndecanoyl chloride: ACTIVE

Applications

UsesUndecanoyl chloride has been used in the synthesis of:chrysotrione B, 2-acylcyclopentene-1,3-dione derivative, isolated from the fruiting bodies of the basidiomycete Hygrophorus chrysodon2-methylpentadecan-5-one4-ketotetradecanoic acid