2,2,3,3,4,4,5,5-Octafluoro-1-pentanol (HCID 9641)

Names & identifiers

Preferred name: 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol
IUPAC: 2,2,3,3,4,4,5,5-octafluoropentan-1-ol
English name: 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol
Molecular formula: C5H4F8O
Molecular weight: 232.07

Names & synonyms

355-80-62,2,3,3,4,4,5,5-Octafluoro-1-pentanol2,2,3,3,4,4,5,5-Octafluoropentan-1-ol1H,1H,5H-Octafluoro-1-pentanol1,1,5-Trihydrooctafluoropentyl alcohol1,1,5-Trihydrooctafluoropentan-1-ol1-PENTANOL, 2,2,3,3,4,4,5,5-OCTAFLUORO-2,2,3,3,4,4,5,5-OctafluoropentanolNSC 1141h,1h,5h-octafluoropentanolEINECS 206-593-42,2,3,3,4,4,5,5-Octafluoropentyl alcohol

Show more names

OCTAFLUORO-1-PENTANOL5H 4:1 FTOH1-Pentanol, 2,2,3,3,4,4,5,5-octafluorouoro-1-pentanoLEight F-pentanol2,2,3,3,4,4,5,5-OCTAF2,2,3,3,4,4,5,5-OctafL1,1,5H-perfluoropentanol

BRN 1773494D05K8EJX151,1,5-trihydroperfluoropentanolalpha,alpha,omega-TrihydroperfluoropentanolAI3-23780NSC-114.alpha.,.alpha.,.omega.-Trihydroperfluoropentanol4-01-00-01648 (Beilstein Handbook Reference)

Database identifiers

CAS: 355-80-6
PubChem CID: 9641
DTXSID: DTXSID0059879
ChEMBL: CHEMBL4513664
UNII: D05K8EJX15
EC Number: 206-593-4
Nikkaji: J10.710G

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 200

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Alcohols

PFAS · 6 items

PFAS -> Fluorotelomers

PFAS -> OECD Category

PFAS -> Other/unspecified

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

SpringerMaterials PropertiesDielectric constant

Physical DescriptionLiquid; [Merck Index] Colorless liquid; [Alfa Aesar MSDS]

Collision Cross Section124.5 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]

Physicochemical properties

Melting point: -50 °C · <-50°C
Boiling point: 141 · 141-142 °C (lit.)
Density: 1.667 g/mL · 1.667 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.318(lit.)
Flash point: 168 °F · 168 °F
storage temp.: 2 · 2-8°C
form: liquid
pka: 12.91 · 12.91±0.10(Predicted)
Specific Gravity: 1.667 · 1.667
color: colorless
Water Solubility: insoluble
Merck: 14 · 14,6746
BRN: 1773494 · 1773494
Henry's Law Constant: 2.5 · 2.5×10-1 mol/(m3Pa) at 25℃, I. et al. (1999)
InChI: 1S/C5H4F8O/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2,14H,1H2
InChIKey: JUGSKHLZINSXPQ-UHFFFAOYSA-N
SMILES: OCC(F)(F)C(F)(F)C(F)(F)C(F)F
CAS DataBase Reference: 355 · 355-80-6(CAS DataBase Reference)
FDA UNII: 5 K8EJX15 · D05K8EJX15
NIST Chemistry Reference: 1 · 1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro-(355-80-6)
EPA Substance Registry System: 1 · 1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro- (355-80-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H227-H335
Precautionary statements: 210 e-P261-P280a-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 · P210e-P261-P280a-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,F
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
RTECS: 7650000 · SA7650000
Hazard Note: Flammable
TSCA: TSCA listed
HS Code: 29055910 · 29055910
Storage Class: 10 · 10 - Combustible liquids
Toxicity: 2500 ppm/4H · LCLo ihl-rat: 2500 ppm/4H JOCMA7 4,262,62
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (90.6%): 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 64 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: 1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro-

Status: Active Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23611

2,2,3,3,4,4,5,5-Octafluoro-1-pentanol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Indirect precursors to short-chain perfluorocarboxylic acids: Environment tier II assessment

Hazards Summary · 1 item

Causes general anesthesia, somnolence, and muscle weakness in inhalation lethal-concentration studies of rats; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See 1,1,1-Tribromo-2-methyl-2-propanol. See 2,2,3,3,4,4,4-Heptafluoro-1-butanol.

Hazard Classes and CategoriesSkin Irrit. 2 (90.6%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Toxicity DataLCLo (rat) = 2,500 ppm/4hr

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: SA7650000
hs_code: 29055910
Toxicity: LCLo ihl-rat: 2500 ppm/4H JOCMA7 4,262,62
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,F
hazard_note: Flammable
safety_code: 26-37/39
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319-H227-H335
REACH Registrations: Active
Precautionary statements: P210e-P261-P280a-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Uses & manufacturing

UsesUsed to introduce fluoroalkyl groups into organic molecules; [Merck Index]

Use Classification · 2 items

PFAS -> F-telomer alcohols (FTOH)

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

General Manufacturing Information1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro-: ACTIVE

Applications · 1 item

Uses2,2,3,3,4,4,5,5-Octafluoro-1-pentanol is used as a cosurfactant in the synthesis of silver and silver iodide nanocrystals. It was also used in the synthesis of Ag2S nanocrystals with a characteristic surface plasmon resonance absorption at 330nm.

Preparation methods · 1 item

Preparation2,2,3,3,4,4,5,5-octafluoro-1-pentanol was prepared as follows: (1) Take 3 kg of the residual liquid, add 10 kg of chloroform, heat and stir to dissolve it completely, filter and remove the solid residue; (2) Distill the filtrate under normal pressure and recover 9.8 kg of chloroform; (3) Distill to obtain 1.4 kg of bottom organic phase, first distill the organic phase under normal pressure to distill tetrafluoropropanol, cool to 60℃ and adjust the negative pressure to -0.09 MPa, heat to full reflux for 1 hour, adjust the reflux ratio to 1:1, collect the fraction below 130℃, and obtain a total of 0.58 kg of distillate. The main components of the 0.58 kg distillate are: tetrafluoropropanol 50.25%, 2,2,3,3,4,4,5,5-octafluoro-1-pentanol 28.69%, dodecafluoroheptanol 5.94%, cetylnonanol 1.65%, and the distillate yield is 16.6%.