N-Methylbutylamine

HCID 8068CAS 110-68-9

Basic information

Standard SMILES
CCCCNC
InChIKey
QCOGKXLOEWLIDC-UHFFFAOYSA-N
Molecular formula
C5H13N
Average molar mass
87.16 g/mol
Monoisotopic mass
87.10479942

Names & identifiers

Preferred name
N-Methylbutylamine
IUPAC
N-methylbutan-1-amine
English name
N-Methylbutylamine
Molecular formula
C5H13N
Molecular weight
87.16

Names & synonyms

N-Methylbutylamine110-68-9MethylbutylamineN-ButylmethylamineButylmethylamineN-Methyl-N-butylamineN-Butyl-N-methylamineN-MethylbutanamineN-methyl-1-butanamine1-Butanamine, N-methyl-N-METHYL BUTYLAMINEButylamine, N-methyl-
Show more names
nmbuaN-ButylmethylaminN-MethylbutylaminN-Methybutylaminen-methyl-butylamin
N-(Methyl) butyl amineMethyl-N-butylamineMethylaminobutaneUN2945HSDB 2748EINECS 203-791-261NTK0473LDTXSID9059389

Database identifiers

CAS
110-68-9
PubChem CID
8068
DTXSID
DTXSID9059389
ChEBI
CHEBI:59019
UNII
61NTK0473L
EC Number
203-791-2
Nikkaji
J35.114H

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
6

Experimental & physicochemical properties

LogPlog Kow = 1.33
Density · 2 items

0.7637 g/cu cm at 15 °C

0.7335 @25 °C

Color/FormLiquid
SolubilityMiscible in water
Flash Point · 2 items

55 °F (NFPA, 2010)

55 °F (13 °C) (open cup)

Boiling Point · 2 items

91 °C

91 °C @760 [mm Hg]

Physicochemical properties

Melting point
-75 °C · -75 °C
Boiling point
90.5 · 90.5-91.5 °C(lit.)
Density
0.736 g/mL · 0.736 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.3995(lit.)
Flash point
35 °F · 35 °F
storage temp.
30 °C · Store below +30°C.

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids];H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (89.1%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (10.9%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H332 (87%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Butylmethylamine: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid Corrosive
Fire Hazards · 2 items

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:;Flammable/combustible material. May be ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids will float on water. (ERG, 2024)

· Flammable/combustible material.;· May be ignited by heat, sparks or flames.;· Vapors may form explosive mixtures with air.;· Vapors may travel to source of ignition and flash back.;· Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.).;· Vapor explosion hazard indoors, outdoors or in sewers.;· Those substances designated with a (P) may polymerize explosively when heated or involved in a fire.;· Runoff to sewer may create fire or explosion hazard.;· Containers may explode when heated.;· Many liquids will float on water.

Fire PotentialFLAMMABLE LIQUID WHEN EXPOSED TO HEAT, SPARKS, OR FLAME.
Health Hazards · 2 items

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:;May cause toxic effects if inhaled or ingested. Contact with substance may cause severe burns to skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or asphyxiation, especially when in closed or confined areas. Runoff from fire control or dilution water may cause environmental contamination. (ERG, 2024)

· May cause toxic effects if inhaled or ingested.;· Contact with substance may cause severe burns to skin and eyes.;· Fire will produce irritating, corrosive and/or toxic gases.;· Vapors may cause dizziness or asphyxiation, especially when in closed or confined areas.;· Runoff from fire control or dilution water may cause environmental contamination.

Hazards Summary · 1 item

Flammable liquid; [Hawley] A skin and severe eye irritant; Emergency treatment: Corrosives- alkaline; [HSDB] May cause burns; [CAMEO] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; May cause edema and chemical pneumonitis; [MSDSonline]

Safety & protection

Fire Fighting · 1 item

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:;Some of these materials may react violently with water.;SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam.;LARGE FIRE: Water spray, fog or alcohol-resistant foam. If it can be done safely, move undamaged containers away from the area around the fire. Dike runoff from fire control for later disposal. Do not get water inside containers.;FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. For massive fire, use unmanned master stream devices or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2024)

Accidental Release Measures · 2 items

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.;· Keep unauthorized personnel away.;· Stay upwind, uphill and/or upstream.;· Ventilate closed spaces before entering, but only if properly trained and equipped.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.;· All equipment used when handling the product must be grounded.;· Do not touch or walk through spilled material.;· Stop leak if you can do it without risk.;· Prevent entry into waterways, sewers, basements or confined areas.;· A vapor-suppressing foam may be used to reduce vapors.;· Absorb with earth, sand or other non-combustible material.;· For hydrazine, absorb with DRY sand or inert absorbent (vermiculite or absorbent pads).;· Use clean, non-sparking tools to collect absorbed material.;Large Spill;· Dike far ahead of liquid spill for later disposal.;· Water spray may reduce vapor, but may not prevent ignition in closed spaces.

First Aid · 2 items

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:;Refer to the "General First Aid" section. Specific First Aid: For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. (ERG, 2024)

General First Aid:;· Call 911 or emergency medical service.;· Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.;· Move victim to fresh air if it can be done safely.;· Administer oxygen if breathing is difficult.;· If victim is not breathing:;-- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance.;-- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).;-- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.;· Remove and isolate contaminated clothing and shoes.;· For minor skin contact, avoid spreading material on unaffected skin.;· In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.;· For severe burns, immediate medical attention is required.;· Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed.;· Keep victim calm and warm.;· Keep victim under observation.;· For further assistance, contact your local Poison Control Center.;· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.;Specific First Aid:;· For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required.

Exposure Control and Personal Protection · 1 item

· Wear positive pressure self-contained breathing apparatus (SCBA).;· Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE.;· Structural firefighters' protective clothing provides thermal protection but only limited chemical protection.

Fire Fighting Procedures · 2 items

ALCOHOL FOAM

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Use "alcohol" foam, dry chemical or carbon dioxide. Keep run-off water out of sewers and water sources.

Nonfire Spill Response · 1 item

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:;ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb with earth, sand or other non-combustible material. For hydrazine, absorb with DRY sand or inert absorbent (vermiculite or absorbent pads). Use clean, non-sparking tools to collect absorbed material.;LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2024)

Toxicology

Environmental Fate · 3 items

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 130(SRC), determined from a log Kow of 1.33(2) and a regression-derived equation(3), indicates that butylmethylamine is expected to have high mobility in soil(SRC). The pKa of butylmethylamine is 10.9(4) indicating that this compound will exist almost entirely in the cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5). Volatilization of butylmethylamine from moist soil surfaces is not expected to be an important fate process given its cationic state(SRC). Butylmethylamine is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 50 mm Hg(SRC), determined from a fragment constant method(6).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 130(SRC), determined from a log Kow of 1.33(2) and a regression-derived equation(3), indicates that butylmethylamine is expected to adsorb to suspended solids and sediment(SRC). A pKa of 10.9(4) indicates butylmethylamine will exist almost entirely in the cation form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(5). According to a classification scheme(6), an estimated BCF of 2(SRC), from its log Kow(2) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), butylmethylamine, which has an estimated vapor pressure of 50 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase butylmethylamine is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 5 hours(SRC), calculated from its rate constant of 7.8X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Butylmethylamine does not contain chromophores that absorb at wavelengths >290 nm(4) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

Food Survey ValuesButylmethylamine was detected in evaporated milk at a concentration of 0.2 ppm(1).
Adverse EffectsDermatotoxin - Skin burns.;Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
Milk ConcentrationsButylmethylamine was detected in evaporated milk at a concn of 0.2 ppm(1).
Plant ConcentrationsAliphatic amines, including butylmethylamine were identified, not quantified, in tobacco leaves(1).
Soil Adsorption/Mobility · 1 item

The Koc of butylmethylamine is estimated as 130(SRC), using a log Kow of 1.33(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that butylmethylamine is expected to have high mobility in soil. The pKa of butylmethylamine is 10.9(4) indicating that this compound will exist almost entirely in the cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).

Regulatory information

Regulatory Information · 2 items

Butylmethylamine: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Safety data

wgk
3
tsca
TSCA listed
rtecs
EO5250000
ridadr
UN 2945
hs_code
29211999
Toxicity
LD50 orally in Rabbit: 420 mg/kg LD50 dermal Rabbit 932 mg/kg

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Used as an intermediate; [Hawley]

Intermediate

General Manufacturing Information1-Butanamine, N-methyl-: ACTIVE

Applications

UsesIntermediate.

General DescriptionA water-white liquid with an ammonia-like odor. Density 0.736 g / cm3 and flash point 35°F (Aldrich) .Vapors heavier than air. Used to make other chemicals.

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]

Additional notes

DefinitionChEBI: A secondary aliphatic amine having methyl and n-butyl as the two alkyl groups.

Related reactions

174 records

Linked notes

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