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Butylacetanilide

Butylacetanilide structure

CAS No:
91-49-6
Formula:
C12H17NO
Chemical Name:
Butylacetanilide
Synonyms:
Acetamide,N-butyl-N-phenyl-;Acetanilide,N-butyl-;N-Butyl-N-phenylacetamide;BAA;N-Butylacetanilide;Butylacetanilide;N-n-Butylacetanilide;NSC 7662
Categories:
Organic Chemistry > Amides

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Butylacetanilide Basic Attributes

Molecular Weight：

191.27

Exact Mass：

191.27

EC Number：

202-071-5

UNII：

8M351V3SUN

NSC Number：

7662

DSSTox ID：

DTXSID2042197

HScode：

2924299090

Characteristics

PSA：

20.3

XLogP3：

2.83960

Density：

0.9912 g/cm³ @ Temp: 20 °C

Melting Point：

24.5 °C

Boiling Point：

281 °C @ Press: 760 Torr

Flash Point：

286 DEG F CC

Refractive Index：

1.4693 (16ºC)

Water Solubility：

INSOL IN WATER

Toxicity：

Oral-Mouse LD50: 800 mg/kg

Flammability characteristics：

In case of heat, open flame is flammable; thermal decomposition emits toxic nitrogen oxide fumes

Safety Information

wgk germany：

safety instructions：

S26-S36

Storage features：

Storehouse ventilated at low temperature and dry; stored separately from oxidants and acids; fire prevention

Precautionary statement(s)：

P260, P264, P273, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P337+P313, P363, P405, P501

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P273, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P337+P313, P363, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Fire Fighting Procedures：

WATER OR FOAM MAY CAUSE FROTHING.

Toxicity

Toxicity class：

moderately toxic

Drug Information

Reported Fatal Dose：

3. 3= MODERATELY TOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN) 0.5-5 G/KG, BETWEEN 1 OZ & 1 PINT (OR 1 LB) FOR 70 KG PERSON (150 LB).

Metabolism/Metabolites：

METABOLIC PATHWAYS CATALYZED BY LIVER MICROSOMAL ENZYMES: HYDROXYLATION OF RING IN ACETANILIDE YIELDS ORTHO- AND PARA-HYDROXYACETANILIDE. /ACETANILIDE, FROM TABLE/

MeSH Entry Terms：

N-butylacetanilide

Butylacetanilide Use and Manufacturing

Methods of Manufacturing

PROBABLY BY REACTION OF ACETANILIDE WITH A BUTYL HALIDE

Uses

USED AS A REPELLANT FOR CONTROL OF TICKS & FLEAS|A REPELLANT USED TO IMPREGNATE CLOTHING

Production

(1977) NOT PRODUCED COMMERCIALLY IN US|(1979) NOT PRODUCED COMMERCIALLY IN US

Manufacturing Info：

Acetamide, N-butyl-N-phenyl-: ACTIVE|BUTYLACETANILIDE AT 20-40 G/SQ M WAS ACTIVE AGAINST TICKS. RESIDUAL EFFECTS OF ISO-AMYLACETANILIDE @ 40 G/SQ M LASTED FOR 21 DAYS, WHILE THOSE OF OTHER PREPN LASTED 9-12 DAYS.|BUTYLACETANILIDE REPELLED 90% OF IXODES PERSULCATUS, DERMACENTOR PICTUS, & D MARGINATUS LARVAE.

Computed Properties

Molecular Weight:191.27
XLogP3:2.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:191.131014166
Monoisotopic Mass:191.131014166
Topological Polar Surface Area:20.3
Heavy Atom Count:14
Complexity:173
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes