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B95736

Sigma-Aldrich

Butyl isocyanate

98%

Synonym(s):

1-Isocyanatobutane, n-Butyl isocyanate, BIC

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About This Item

Linear Formula:
CH3(CH2)3NCO
CAS Number:
111-36-4
Molecular Weight:
99.13
Beilstein:
773917
EC Number:
203-862-8
MDL number:
MFCD00002046
UNSPSC Code:
12352100
PubChem Substance ID:
24892145
NACRES:
NA.21

vapor density

3 (vs air)

Quality Level

100

vapor pressure

10.6 mmHg ( 20 °C)

Assay

98%

form

liquid

refractive index

n20/D 1.406 (lit.)

bp

115 °C (lit.)

density

0.88 g/mL at 25 °C (lit.)

SMILES string

CCCCN=C=O

InChI

1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3

InChI key

HNHVTXYLRVGMHD-UHFFFAOYSA-N

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General description

Butyl isocyanate is a metabolite of benomyl, a broad spectrum fungicide.

Application

Butyl isocyanate can undergo anionic polymerization to form poly(butyl isocyanate) using lanthanum isopropoxide as the initiator.

Signal Word

Danger

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Dam. 1 - Flam. Liq. 2 - Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

51.8 °F - closed cup

Flash Point(C)

11 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Shyh-Ying Chiou et al.
Chirality, 22(2), 267-274 (2009-06-06)
The acetylcholinesterase inhibition by enantiomers of exo- and endo-2-norbornyl-N-n-butylcarbamates shows high stereoselelectivity. For the acetylcholinesterase inhibitions by (R)-(+)- and (S)-(-)-exo-2-norbornyl-N-n-butylcarbamates, the R-enantiomer is more potent than the S-enantiomer. But, for the acetylcholinesterase inhibitions by (R)-(+)- and (S)-(-)-endo-2-norbornyl-N-n-butylcarbamates, the S-enantiomer is
M Chiba et al.
Canadian journal of microbiology, 33(2), 157-161 (1987-02-01)
The inhibition of yeast (Saccharomyces cerevesiae) metabolism by fungicidal chemicals was investigated. Glucose- or ethanol-dependent yeast respiration was measured with an oxygen electrode, and manometric determination of carbon dioxide release was used to measure fermentation. Both respiration and fermentation were
X Guan et al.
Chemical research in toxicology, 12(12), 1138-1143 (1999-12-22)
Tolbutamide (TOLB), a widely used hypoglycemic agent in the therapy of non-insulin-dependent diabetes mellitus, has been reported to be teratogenic and/or embryotoxic in several animal species and humans. It has been proposed that the teratogenic effects of TOLB are linked
Dhimiter Bello et al.
Journal of environmental monitoring : JEM, 7(7), 716-721 (2005-06-30)
Isocyanates may cause contact dermatitis and respiratory sensitization leading to asthma. Dermal exposure to aliphatic isocyanates in auto body shops is very common. However, little is known about the effectiveness of available commercial products used for decontaminating aliphatic polyisocyanates. This
S Radice et al.
Toxicology, 123(1-2), 135-142 (1997-11-05)
Changes in the cytochrome P450 monooxygenase system were investigated in HepG2 cells treated for 24 h with 1.25, 2.5, 5, 10 and 20 microg/ml of carbendazim (MBC) and n-butylisocyanate (BIC), the principal benomyl metabolites. The results show that n-butylisocyanate leads
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