Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCN- InChIKey
FJLUATLTXUNBOT-UHFFFAOYSA-N- Molecular formula
- C16H35N
- Average molar mass
- 241.46 g/mol
- Monoisotopic mass
- 241.27695012
Overview
Hexadecylamine is a white solid. (NTP, 1992)
Names & identifiers
- Preferred name
- Hexadecylamine
- IUPAC
- hexadecan-1-amine
- English name
- 1-Hexadecylamine
- Molecular formula
- C16H35N
- Molecular weight
- 241.46
Names & synonyms
Show more names
Database identifiers
- CAS
143-27-1、68037-95-6- PubChem CID
- 8926
- DTXSID
DTXSID7025390- ChEMBL
CHEMBL1534653- ChEBI
CHEBI:165594- UNII
- O2H0Q02M4P
- EC Number
- 205-596-8
- Nikkaji
- J6.125E
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 14
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 123
Experimental & physicochemical properties
Density
0.8129 at 68 °F (NTP, 1992) - Less dense than water; will float
0.8129 @ 20°C
Boiling Point
613 °F at 760 mmHg (NTP, 1992)
322.5 °C @760 [mm Hg]
Physical Description
Hexadecylamine is a white solid. (NTP, 1992)
White waxy solid with an ammoniacal odor; [CAMEO] White crystalline solid with a weak odor; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 43 · 43-45 °C (lit.)
- Boiling point
- 330 °C · 330 °C (lit.)
- Density
- 0 · 0,813 g/cm3
- vapor pressure
- 1 mm · <1 mm Hg ( 20 °C)
- refractive index
- 1.4496 · 1.4496
- Flash point
- 285 °F · 285 °F
- storage temp.
- 30 °C · Store below +30°C.
- pka
- 10.63 · 10.63(at 25℃)
- form
- Low Melting Crystalline Mass or Chunks
- color
- White
- Water Solubility
- insoluble
- BRN
- 1634065 · 1634065
- Cosmetics Ingredients Functions
- ANTISTATIC
- InChI
- 1S/C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-17H2,1H3
- InChIKey
- FJLUATLTXUNBOT-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCCN
- LogP
- 6.73 at · 6.73 at 25℃
- CAS DataBase Reference
- 143 · 143-27-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1-2
- FDA UNII
- 2 H0Q02M4P · O2H0Q02M4P
- NIST Chemistry Reference
- 1 · 1-Hexadecanamine(143-27-1)
- EPA Substance Registry System
- Hexadecylamine (143-27-1)
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 8 · GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 304 · H304-H373-H410
- Precautionary statements
- 273 · P273-P301+P310+P331-P314
- target organs
- Gastrointestinal tract,Liver,Immune system
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C,Hazard
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3259 · UN 3259 8/PG 2
- WGK Germany
- 2 · 2
- RTECS
- 9100000 · ML9100000
- F
- 34 · 34
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29211980 · 29211980
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Eye Dam. 1Skin Corr. 1ASTOT RE 2
- Toxicity
- 50 · mouse,LD50,intraperitoneal,200mg/kg (200mg/kg),National Technical Information Service. Vol. AD691-490,
- 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
Danger
H314 (98%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Regulatory Information
Chemical: 1-Hexadecanamine
Status: Active Update: 30-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/29504
Hexadecylamine: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
HEXADECYLAMINE may react with oxidizing agents (NTP, 1992). Readily neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
Hazard Classes and Categories
Skin Corr. 1 (98%)
Acute toxicity - category 4
Safety & protection
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Protective Action Criteria (PAC)
0.66 [mg/m3]
7.2 [mg/m3]
43 [mg/m3]
Toxicology
Safety data
- F
- 34
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- ML9100000
- ridadr
- UN 3259 8/PG 2
- hs_code
- 29211980
- Toxicity
- mouse,LD50,intraperitoneal,200mg/kg (200mg/kg),National Technical Information Service. Vol. AD691-490,
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS09
- hazard_code
- C,Hazard
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- target organs
- Gastrointestinal tract,Liver,Immune system
- Hazard statements
- H304-H373-H410
- 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
- Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Eye Dam. 1Skin Corr. 1ASTOT RE 2
- Precautionary statements
- P273-P301+P310+P331-P314
Chemistry & industry
Uses & manufacturing
Applications
UsesDental caries prophylactic.
Uses1-Hexadecylamine is used for producing resin, senior detergent, anti-caking agent.
General DescriptionA white waxy solid with an ammonia-like odor. Insoluble in water and less dense than water. Hence floats on water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation or skin absorption. Used to make other chemicals.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Additional notes
DefinitionChEBI: 1-Hexadecylamine is an alkylamine.
Related reactions
Linked notes
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