Dodecafluoroheptanol
Basic information
- CAS
335-99-9- Standard SMILES
OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F- InChIKey
BYKNGMLDSIEFFG-UHFFFAOYSA-N- Molecular formula
- CF2HC5F10CH2OH
- Average molar mass
- 332.09 g/mol
- Monoisotopic mass
- 332.0070527
Names & identifiers
- Preferred name
- Dodecafluoroheptanol
- IUPAC
- 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-ol
- English name
- 1H,1H,7H-Dodecafluoro-1-heptanol
- Molecular formula
- C7H4F12O
- Molecular weight
- 332.09
Names & synonyms
1H,1H,7H-Dodecafluoro-1-heptanol335-99-92,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptan-1-oldodecafluoroheptanol1,1,7-Trihydroperfluoroheptanol1h,1h,7h-dodecafluoroheptanol2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-1-heptanol1,1,7-Trihydrododecafluoroheptanol1,1,7-Trihydroperfluoroheptyl alcohol1-Heptanol, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1,1,7-Trihydrododecafluoroheptan-1-olNSC 115
Show more names
7H 6:1 FTOHDecafluoroheptanol1,1,7H-perfluoroheptanol1H,1H,7H-PERFLUOROHEPTAN-1-OL1H,1H,7H-PERFLUORO-1-HEPTANOL1H,1H,7H-DODECAFLUOROHEPTAN-1-OL
1H,1H,7H-Dodecafluoro-1-hydroxyheptane1H,1H,7H-Perfluoroheptanol1-Heptanol, 1H,1H,7H-dodecafluoro-LPX5K7EC3WEINECS 206-406-6DTXSID9059832AI3-23781NSC-115
Database identifiers
- CAS
335-99-9- PubChem CID
- 67639
- DTXSID
DTXSID9059832- UNII
- LPX5K7EC3W
- EC Number
- 206-406-6
- Nikkaji
- J112.275D
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> non-polymer
PFAS -> F-telomer alcohols (FTOH)
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -20 °C · -20°C
- Boiling point
- 169 · 169-170 °C
- Density
- 1.76 · 1.76
- vapor pressure
- 4.42 hPa · 4.42hPa at 25℃
- refractive index
- 1.316 · 1.316-1.318
- Flash point
- 169 · 169-170°C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- clear liquid
- pka
- 12.89 · 12.89±0.10(Predicted)
- Specific Gravity
- 1.762 · 1.762
- color
- Colorless to Light yellow to Light orange
- BRN
- 1800110 · 1800110
- Henry's Law Constant
- 6.4 · 6.4×10-2 mol/(m3Pa) at 25℃, I. et al. (1999)
- LogP
- 3.31 · 3.31
- CAS DataBase Reference
- 335 · 335-99-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 K7EC3W · LPX5K7EC3W
- NIST Chemistry Reference
- 1 h,1h,7h-Dodecafluoro-1-heptanol · 1h,1h,7h-Dodecafluoro-1-heptanol(335-99-9)
- EPA Substance Registry System
- 1 · 1-Heptanol, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro- (335-99-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26
- RTECS
- 4500000 · MJ4500000
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29055998 · 29055998
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): 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 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
S - indicates a substance that is identified in a final Significant New Use Rule.
REACH registered substance: 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-ol (EC: 206-406-6)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- rtecs
- MJ4500000
- hs_code
- 29055998
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 37/39-26
- Hazard statements
- H302-H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Uses & manufacturing
Uses
non-polymer PFAS -> Photographic Industry -> Photographic material
• Anionic surface active compounds and photographic elements containing them [Ref: CAS2019 (WO8300162)]
Use Classification
PFAS -> F-telomer alcohols (FTOH)
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Heptanol, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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