Basic information
- CAS
7396-58-9- Standard SMILES
CCCCCCCCCCN(C)CCCCCCCCCC- InChIKey
ATBNMWWDBWBAHM-UHFFFAOYSA-N- Molecular formula
- C21H45N
- Average molar mass
- 311.6 g/mol
- Monoisotopic mass
- 311.35520044
Overview
Didecylmethyl amine appears as a clear slightly light yellow liquid with a fishlike 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.
Names & identifiers
- Preferred name
- 1-Decanamine, N-decyl-N-methyl-
- IUPAC
- N-decyl-N-methyldecan-1-amine
- English name
- N-Methyldidecylamine
- Molecular formula
- C21H45N
- Molecular weight
- 311.59
Names & synonyms
Show more names
Database identifiers
- CAS
7396-58-9- PubChem CID
- 81880
- DTXSID
DTXSID5027649- EC Number
- 230-990-1
- Nikkaji
- J278.807A
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 18
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 170
Experimental & physicochemical properties
Physical Description
Didecylmethyl amine appears as a clear slightly light yellow liquid with a fishlike 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.
Liquid; CBI
Physicochemical properties
- Melting point
- -7.4 °C · -7.4 °C
- Boiling point
- 145 °C · 145 °C / 2mmHg
- Density
- 0.807 g/mL · 0.807 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.448
- Flash point
- 93 °C · 93°C
- pka
- 9.83 · 9.83±0.50(Predicted)
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Water Solubility
- 1.2 μg/L · 1.2μg/L
- BRN
- 1765810 · 1765810
- InChI
- InChI=1S/C21H45N/c1-4-6-8-10-12-14-16-18-20-22(3)21-19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3
- InChIKey
- ATBNMWWDBWBAHM-UHFFFAOYSA-N
- SMILES
- C(N(CCCCCCCCCC)C)CCCCCCCCC
- LogP
- 8.8 · 8.8
- CAS DataBase Reference
- 7396 · 7396-58-9
- EPA Substance Registry System
- Didecylmethylamine (7396-58-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 227 · H227-H314
- Precautionary statements
- 210 · P210-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P403+P235-P405-P501
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- RIDADR
- 2735 · UN 2735 8/PG 3
- WGK Germany
- 2 · 2
- F
- 9 · 9-34
- TSCA
- TSCA listed
- HS Code
- 2921.19 · 2921.19.6190
- HazardClass
- 8 · 8
- PackingGroup
- II
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Irrit. 2
- REACH Registrations
- Active
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (96.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 211 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Regulatory Information
Chemical: 1-Decanamine, N-decyl-N-methyl-
1-Decanamine, N-decyl-N-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Decanamine, N-decyl-N-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: N-methyldidecylamine (EC: 230-990-1)
1-Decanamine, N-decyl-N-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
DIDECYLMETHYL AMINE 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
Acute Tox. 4 (96.2%)
Acute toxicity (Oral) - Category 4
Safety & protection
Safety data
- F
- 9-34
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2735 8/PG 3
- hs_code
- 2921.19.6190
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- Storage Class
- 10 - Combustible liquids
- packing_group
- II
- Hazard statements
- H227-H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Irrit. 2
- Precautionary statements
- P210-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P403+P235-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1-Decanamine, N-decyl-N-methyl-: ACTIVE
Applications
UsesN-Methyldidecylamine is a reagent used in the synthesis of novel anthraquinone compounds which act as potential anticancer compounds.
General DescriptionA clear slightly light yellow liquid with a fishlike 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
Suppliers100 total
Related reactions
Compound notes
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