3-Phenylpropyl isothiocyanate

Names

[ Name ]:
3-Phenylpropyl isothiocyanate

[Synonym ]:
EINECS 220-094-9
3-phenylpropyl-isothiocyanate
MFCD00041134
PPITC
3-Phenylpropylisothiocyanat
Phenylpropyl isothiocyanate

Biological Activity

[Description]:

3-Phenylpropyl isothiocyanate has a stronger inhibitory effect on N-nitrosomethyl-benzylamine (NMBA) tumorigenesis. 3-Phenylpropyl isothiocyanate has chemopreventive effects[1][2].

[Related Catalog]:

Research Areas >> Cancer

Signaling Pathways >> Others >> Others

[In Vivo]

3-Phenylpropyl isothiocyanate (5, 1, or 0.2 µmol; gavage; A/J mice; daily for 4 consecutive days prior to administration of 10 µmol of NNK by i.p. injection) effectively inhibited NNK-induced lung tumors.

[References]

[1]. Morse MA, et al. Structure-activity relationships for inhibition of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone lung tumorigenesis by arylalkyl isothiocyanates in A/J mice. Cancer Res. 1991;51(7):1846-1850.

[2]. Nishikawa A, et al. Chemopreventive effects of 3-phenylpropyl isothiocyanate on hamster lung tumorigenesis initiated with N-nitrosobis(2-oxopropyl)amine. Jpn J Cancer Res. 1996;87(2):122-126.

Chemical & Physical Properties

[ Density]:
1.07

[ Boiling Point ]:
156 °C

[ Molecular Formula ]:
C₁₀H₁₁NS

[ Molecular Weight ]:
177.27

[ Flash Point ]:
156-160°C/12mm

[ Exact Mass ]:
177.06100

[ PSA ]:
44.45000

[ LogP ]:
2.72200

[ Vapour Pressure ]:
0.00302mmHg at 25°C

[ Index of Refraction ]:
1.5780

Safety Information

[ Risk Phrases ]:
R20/21/22;R34

[ Safety Phrases ]:
S26-S36/37/39-S45

[ RIDADR ]:
2927

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
2930909090

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%