3-Phenylpropyl isothiocyanate

Modify Date: 2025-08-23 18:15:12

3-Phenylpropyl isothiocyanate Structure
3-Phenylpropyl isothiocyanate structure
 Common Name 3-Phenylpropyl isothiocyanate
CAS Number 2627-27-2 Molecular Weight 177.27
Density 1.07 Boiling Point 156 °C
Molecular Formula C10H11NS Melting Point N/A
MSDS N/A Flash Point 156-160°C/12mm

 Use of 3-Phenylpropyl isothiocyanate


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

 Names

Name 3-isothiocyanatopropylbenzene
Synonym More Synonyms

 3-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
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

 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%

 Synonyms

EINECS 220-094-9
3-phenylpropyl-isothiocyanate
MFCD00041134
PPITC
3-Phenylpropylisothiocyanat
Phenylpropyl isothiocyanate
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Chemsrc provides 3-Phenylpropyl isothiocyanate(CAS#:2627-27-2) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of 3-Phenylpropyl isothiocyanate are included as well.>> amp version: 3-Phenylpropyl isothiocyanate

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