Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCl- InChIKey
CLWAXFZCVYJLLM-UHFFFAOYSA-N- Molecular formula
- C16H33Cl
- Average molar mass
- 260.9 g/mol
- Monoisotopic mass
- 260.22707874
Names & identifiers
- Preferred name
- 1-Chlorohexadecane
- IUPAC
- 1-chlorohexadecane
- English name
- 1-Chlorohexadecane
- Molecular formula
- C16H33Cl
- Molecular weight
- 260.89
Names & synonyms
1-CHLOROHEXADECANECetyl chloride4860-03-1Hexadecyl chloriden-Hexadecyl chlorideHexadecane, 1-chloro-DTXSID3027580WQ5ZKS3EK3NSC-57106NSC-43727DTXCID107580RefChem:75451
Show more names
orohexadecaneBarchlor(R) 16S1-ChlorhexadecanPalmityl chloride1-Cyclohexadecane1-CHLOROHEXADECYNE
225-461-7CHLOROHEXADECANEchloro hexadecane1-chloro-hexadecane1-hexadecyl chlorideUNII-WQ5ZKS3EK3MFCD00000959SCHEMBL437217
Database identifiers
- CAS
4860-03-1- PubChem CID
- 20993
- DTXSID
DTXSID3027580- ChEMBL
CHEMBL3184566- UNII
- WQ5ZKS3EK3
- EC Number
- 225-461-7
- Nikkaji
- J1.832E
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 14
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 123
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 8 · 8-14 °C(lit.)
- Boiling point
- 149 °C1 · 149 °C1 mm Hg(lit.)
- Density
- 0.865 g/mL · 0.865 g/mL at 25 °C(lit.)
- vapor pressure
- 129 mm · 129 mm Hg ( 21 °C)
- refractive index
- 20 · n20/D 1.449(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 0.02 g/l · <0.02g/l
- form
- clear liquid
- color
- Colorless to Almost colorless
- Water Solubility
- 0.02 g/L · 0.02 g/L (20 ºC, Dec.)
- FreezingPoint
- 17.9 ℃ · 17.9℃
- BRN
- 1748498 · 1748498
- InChI
- 1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
- InChIKey
- CLWAXFZCVYJLLM-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCCCl
- CAS DataBase Reference
- 4860 · 4860-03-1(CAS DataBase Reference)
- FDA UNII
- 5 ZKS3EK3 · WQ5ZKS3EK3
- NIST Chemistry Reference
- 1 · Hexadecane, 1-chloro-(4860-03-1)
- EPA Substance Registry System
- 1 · Hexadecane, 1-chloro- (4860-03-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 3082 · UN 3082 9/PG 3
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29031980 · 29031980
- Storage Class
- 10 · 10 - Combustible liquids
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.6% (1 of 39) of reports.
Warning
H315 (97.4%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Hexadecane, 1-chloro-
Hexadecane, 1-chloro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (97.4%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3082 9/PG 3
- hs_code
- 29031980
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexadecane, 1-chloro-: ACTIVE
Applications
Uses1-Chlorohexadecane is used as chemical intermediate.
Uses1-Chlorohexadecane is used as solvent , surfactants, pharmaceuticals, antibacterial spray.
General DescriptionThe electron impact mass spectra of 1-chlorohexadecane was studied by sampling with supersonic molecular beams.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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