Perfluorotetradecanoic acid

HCID 67822
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Basic information

CAS
376-06-7
Standard SMILES
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
RUDINRUXCKIXAJ-UHFFFAOYSA-N
Molecular formula
C13F27COOH
Average molar mass
714.11 g/mol
Monoisotopic mass
713.95454121

Names & identifiers

Preferred name
Perfluorotetradecanoic acid
IUPAC
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecanoic acid
English name
PERFLUOROTETRADECANOIC ACID
Molecular formula
C14HF27O2
Molecular weight
714.11

Names & synonyms

Perfluorotetradecanoic acid376-06-7Heptacosafluorotetradecanoic acidPerfluoromyristic acidTetradecanoic acid, heptacosafluoro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecanoic acidDTXSID3059921PFTA perfluorotetradecanoic acidPFTreA perfluorotetradecanoic acidPerfluorotetradecanoic acid (PFTeDA)Tetradecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluoro-RefChem:171680
Show more names
Perfluorotetradecanoicacid97%PERFLUOROTETRADECANOIC ACID,NAPerfluorotetradecanoic acid,95%Perfluorotetradecanoic acid 97%Perfluorotetradecanoic acid 97%heptacosafluoro-tetradecanoicaci
206-803-4PFTeDAPFTreAPFTeAMFCD00153263Perfluorotetradecano?ic AcidPerfluorotetradecano?ic Acid (50?g/mL in Methanol)C14HF27O2

Database identifiers

CAS
376-06-7
PubChem CID
67822
DTXSID
DTXSID3059921
UNII
CY7BGN3727
EC Number
206-803-4
Nikkaji
J213.588D

Properties

Computed structural properties

XLogP
9
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
29
Rotatable bonds
12
Heavy atoms
43

Experimental & physicochemical properties

Chemical Classes · 2 items

Ionic Liquids -> Fluorinated Ionic Liquids

Ionic Liquids

PFAS · 6 items

PFAS -> Perfluorocarboxylic acids

PFAS -> Identified in migrating and extractable food contact chemical data

PFAS -> PFAS with analytical method available

PFAS -> non-polymer

PFAS -> PFcarboxylic acids (PFCA)

PFAS -> Perfluoroalkyl acids (PFAAs)

Collision Cross Section · 2 items

187.6 Ų [M-H-CO2]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]

302.02 Ų [2M-H]-

Physicochemical properties

Melting point
130 · 130-135 °C(lit.)
Boiling point
270 °C740 · 270 °C740 mm Hg(lit.)
Density
0.89 · 0.89
Flash point
192 °C/60mm · 192°C/60mm
storage temp.
-20 °C · -20°C Freezer
solubility
Chloroform (Slightly, Heated, Sonicated), Methanol (Slightly, Sonicated)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 33.3% (3 of 9) of reports.

Danger

H302+H332 (11.1%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P203, P260, P261, P263, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 5 items

Hazard Traits - Bioaccumulation; Environmental Persistence

Hazard Traits - Hazard Trait Undefined

S - indicates a substance that is identified in a final Significant New Use Rule.

Restricted substance: Heptacosafluorotetradecanoic acid

Substance: Heptacosafluorotetradecanoic acid

Hazard Classes and CategoriesAcute Tox. 4 (11.1%)

Toxicology

RAIS Toxicity Values · 2 items

0.001

WI Current

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6 items

6.30e+01

8.20e+02

2.00e+01

4.00e-03

9.40e+00

1.00e-03

Hazard Quotient Level 3 or Cancer Risk Level 1E-04 · 6 items

1.90e+02

2.50e+03

6.00e+01

4.00e-03

1.00e-03

Volatile

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
ridadr
3261
hs_code
29159000
risk_code
34

Chemistry & industry

Uses & manufacturing

Uses · 2 items

• Detected in cosmetics [Ref: https://www2.mst.dk/Udgiv/publications/2018/10/978-87-93710-94-8.pdf]

non-polymer PFAS -> Personal Care products and cosmetics -> Lip balm/lip stick/lip gloss

Use Classification · 2 items

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

PFAS -> PFcarboxylic acids (PFCA)

General Manufacturing InformationTetradecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluoro-: ACTIVE
Applications · 3 items

UsesFluorinating agent

UsesPerfluorotetradecanoic acid is used for GC (Gas Chromatography) and LC (Liquid Chromatography) analysis.

General DescriptionPerfluorotetradecanoic acid belongs to the class of perfluorinated compounds, which are found to be persistent in the environment with bioaccumulative potential. It is used in various commercial applications, including firefighting foams, detergents, insecticides, paper, food containers, as well as to produce photographic films and manufacture fat- and wate-resistant fabrics, etc.

Upstream & downstream products

Upstream raw materials

Suppliers63 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]

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Compound notes

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