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Butyl carbamate

Butyl carbamate structure

Butyl carbamate 

structure
  • CAS No:

    592-35-8

  • Formula:

    C5H11NO2

  • Chemical Name:

    Butyl carbamate

  • Synonyms:

    Carbamic acid,butyl ester;Butyl carbamate;n-Butyl carbamate;NSC 187

  • Categories:

    Organic Chemistry  >  Amides

Description

WHITE FLAKES

Butyl carbamate Basic Attributes

117.15

117.15

209-751-0

MY8I82AJS5

187

DTXSID2060462

PRISMS

2924199090

Characteristics

52.3

0.8

1.0±0.1 g/cm3

53 °C

108 °C

228 °F

1.430

SOLUBLE

Peritoneal-mouse LD50: 200 mg/kg

Thermal decomposition of toxic nitrogen oxide fumes

Safety Information

NONH for all modes of transport

1

22-41-43-36/37/38-10-36-20/21/22

26-36/37/39-24/25-16-7/9-36/37

EZ0175000

Xn,Xi,F

Warehouse ventilation, low temperature and dry

P280-P305 + P351 + P338

H302-H317-H318

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P272, P280, P281, P301+P312, P302+P352, P305+P351+P338, P308+P313, P310, P321, P330, P333+P313, P363, P405, and P501|Aggregated GHS information provided by 117 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

moderately toxic

TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 69(SRC), determined from a measured log Kow of 0.85(2) and a recommended regression-derived equation(3), indicates that n-butyl carbamate is expected to have high mobility in soil(SRC). Volatilization of n-butyl carbamate from moist soil surfaces is not expected to be important(SRC) given an estimated Henry's Law constant of 9.3X10-8 atm-cu m/mole(SRC), using a fragment constant estimation method(4).|AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 69(SRC), determined from a measured log Kow of 0.85(2) and a recommended regression-derived equation(3), indicates that n-butyl carbamate is not expected to adsorb to suspended solids and sediment in water(SRC). n-Butyl carbamate is not expected to volatilize from water surfaces(3,SRC) based on an estimated Henry's Law constant of 9.3X10-8 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 2.6(3,SRC), from a measured log Kow(2), suggests that bioconcentration in aquatic organisms is low(SRC). Purely aliphatic carbamates are expected to be resistant to hydrolysis under environmental conditions(6). A base-catalyzed second-order rate constant of 6.6X10-5 L/mol-sec(SRC) was estimated using a structure estimation method(7); this corresponds to half-lives of 3300 and 330 years at pH values of 7 and 8, respectively(7,SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), n-butyl carbamate, which has an estimated vapor pressure of 0.15 mm Hg at 25 °C(2,SRC), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase n-butyl carbamate 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 about 1.5 days(3,SRC).

The rate constant for the vapor-phase reaction of isopropyl carbamate with photochemically-produced hydroxyl radicals has been estimated as 1.1X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 1.5 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC). Purely aliphatic carbamates are expected to be resistant to hydrolysis under environmental conditions(2). A base-catalyzed second-order rate constant of 6.6X10-5 L/mol-sec(SRC) was estimated using a structure estimation method(3); this corresponds to half-lives of 3300 and 330 years at pH values of 7 and 8, respectively(3,SRC).

An estimated BCF of 2.6 was calculated for n-butyl carbamate(SRC), using a measured log Kow of 0.85(1) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF suggests that bioconcentration in aquatic organisms is low(SRC).

The Koc of n-butyl carbamate was estimated as approximately 69(SRC), using a measured log Kow of 0.85(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that n-butyl carbamate is expected to have high mobility in soil(SRC).

The Henry's Law constant for n-butyl carbamate is estimated as 9.3X10-8 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that n-butyl carbamate will be essentially nonvolatile from water surfaces(2,SRC). n-Butyl carbamate's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces is not expected to occur(SRC).

Drug Information

For immediate first aid: Ensure that adequate decontamination has been carried out. If victim is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep victim quiet and maintain normal body temperature. Obtain medical attention. /Esters and related compounds/|For basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... Monitor for shock and treat if necessary ... For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Esters and related compounds/

Butyl carbamate Use and Manufacturing

Methods of Manufacturing

The catalyst was prepared by calcining Yb(NO3)3.6H2O at 350° C. for 4 hours in air.

Uses

Used in organic synthesis intermediate

Production

(1979) NOT PRODUCED COMMERCIALLY IN USA

Carbamic acid, butyl ester: ACTIVE

Computed Properties

Molecular Weight:117.15
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:117.078978594
Monoisotopic Mass:117.078978594
Topological Polar Surface Area:52.3
Heavy Atom Count:8
Complexity:72.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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