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100-85-6

Basic Information
CAS No.: 100-85-6
Name: Benzyltrimethylammonium hydroxide
Article Data: 23
Molecular Structure:
Molecular Structure of 100-85-6 (Benzyltrimethylammonium hydroxide)
Formula: C10H16N.HO
Molecular Weight: 167.251
Synonyms: Benzenemethanaminium,N,N,N-trimethyl-, hydroxide (1:1);BTMAH 40;N,N,N-Trimethylbenzenemethanaminium hydroxide;N-Benzyltrimethylammoniumhydroxide;Sumquat 2311;Trimethylbenzylammonium hydroxide;Triton B;Ammonium,benzyltrimethyl-, hydroxide (8CI);Benzenemethanaminium, N,N,N-trimethyl-,hydroxide (9CI);
EINECS: 202-895-5
Density: 1.059 g/mL at 25 °C
Melting Point: -98oC
Boiling Point: 65 °C
Flash Point: 15°C
Solubility: Miscible with water, hydrocarbons, aromatic hydrocarbons and halogenated solvents.
Appearance: clear slightly yellow solution
Hazard Symbols: CorrosiveC, ToxicT, FlammableF
Risk Codes: 34-39/23/24/25-23/24/25-11
Safety: 26-36/37/39-45-46-16
Transport Information: UN 3267 8/PG 2
PSA: 23.06000
LogP: 1.71600
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Chemistry

Molecular Structure of Benzyltrimethylammonium hydroxide (CAS NO.100-85-6):

IUPAC Name: Benzyl(trimethyl)azanium hydroxide
Molecular Formula: C10H16N.HO
Molecular Weight: 167.28 g/mol
EINECS: 202-895-5
Density: 1.059 g/mL at 25 °C
Boiling Point: 65 °C
Flash Point: 60 °F
Solubility: soluble in water
Appearance: clear slightly yellow solution
Storage Temp: flammables area
Sensitive: air sensitive 
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Exact Mass: 167.131014
MonoIsotopic Mass: 167.131014
Topological Polar Surface Area: 1
Heavy Atom Count: 12 
Canonical SMILES: C[N+](C)(C)CC1=CC=CC=C1.[OH-]
InChI: InChI=1S/C10H16N.H2O/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H2/q+1;/p-1
InChIKey: NDKBVBUGCNGSJJ-UHFFFAOYSA-M
Product Categories: quarternary ammonium bases;Ammonium Hydroxides (Quaternary);Quaternary Ammonium Compounds

Toxicity Data With Reference

1.    

scu-mus LDLo:35 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 28 (1926),367.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes: CorrosiveC, ToxicT, FlammableF
Risk Statements: 34-39/23/24/25-23/24/25-11 
R34:Causes burns. 
R39:Danger of very serious irreversible effects. 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed. 
R11:Highly flammable.
Safety Statements: 26-36/37/39-45-46-16 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S46:If swallowed, seek medical advice immediately and show this container or label. 
S16:Keep away from sources of ignition.
RIDADR: UN 3267 8/PG 2
WGK Germany: 1
RTECS: BO8575000
F: 9-23
HazardClass: 8
PackingGroup: II
Poison by subcutaneous route. A strong base. When heated to decomposition it emits toxic fumes of NH3 and NOx. See also ALKALIES.

Specification

 Benzyltrimethylammonium hydroxide (CAS NO.100-85-6) is also named as Benzyl trimethyl ammonium hydroxide ; Benzyltrimetylammonium hydroxide ; N,N,N-Trimethylbenzenemethanaminium hydroxide ; NSC 261034 ; Sumquat 2311 ; Trimethyl benzylammonium hydroxide ; Trimethylbenzylammonium hydroxide ; Triton B ; Ammonium, benzyltrimethyl-, hydroxide . Benzyltrimethylammonium hydroxide (CAS NO.100-85-6) is highly toxic. It is flammable. It will produce toxic nitrogen oxide and ammonia fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Benzyltrimethylammonium hydroxide (CAS NO.100-85-6) separate from acid.

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