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2257-09-2

2257-09-2 structure
2257-09-2 structure
  • Name: Phenylethyl isothiocyanate
  • Chemical Name: phenethyl isothiocyanate
  • CAS Number: 2257-09-2
  • Molecular Formula: C9H9NS
  • Molecular Weight: 163.23900
  • Catalog: Chemical reagent Organic reagent Cyanate ester / isocyanate
  • Create Date: 2018-02-08 08:00:00
  • Modify Date: 2024-01-02 22:40:37
  • 2-Phenylethyl isothiocyanate is a potent antifungal agent. 2-Phenylethyl isothiocyanate significantly inhibited spore germination and mycelial growth of Alternaria alternata, with a MIC (minimum inhibitory concentration) of 1.22 mM. The antifungal effect of 2-Phenylethyl isothiocyanate against Alternaria alternata might be via reduction in toxin content and breakdown of cell membrane integrity[1][2].
Name phenethyl isothiocyanate
Synonyms PhCH2CH2NCS
Phenylethyl isothiocyanate
2-Phenylethyl Isothiocyanate
EINECS 218-855-5
PEITC
Isothiocyanic Acid 2-Phenylethyl Ester
Phenylaethylsenfoel
Phenethyl mustard oil
MFCD00004821
Phenethyl Isothiocyanate
2-phenylethyl-ITC
2-isothiocyanatoethylbenzene
Description 2-Phenylethyl isothiocyanate is a potent antifungal agent. 2-Phenylethyl isothiocyanate significantly inhibited spore germination and mycelial growth of Alternaria alternata, with a MIC (minimum inhibitory concentration) of 1.22 mM. The antifungal effect of 2-Phenylethyl isothiocyanate against Alternaria alternata might be via reduction in toxin content and breakdown of cell membrane integrity[1][2].
Related Catalog
References

[1]. B. J. Smith, et al. In vitro inhibition of soil microorganisms by 2-phenylethyl isothiocyanate. Plant Pathology. 4 October 2002;51(5):585-593.

[2]. Zhang M, et al. 2-Phenylethyl Isothiocyanate Exerts Antifungal Activity against Alternaria alternata by Affecting Membrane Integrity and Mycotoxin Production. Toxins (Basel). 2020 Feb 15;12(2):124.
Density 1.094 g/mL at 25 °C(lit.)
Boiling Point 75 °C0.25 mm Hg
Molecular Formula C9H9NS
Molecular Weight 163.23900
Flash Point >230 °F
Exact Mass 163.04600
PSA 44.45000
LogP 2.33190
Vapour Pressure 0.0427mmHg at 25°C
Index of Refraction n20/D 1.5888(lit.)
Water Solubility insoluble

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX9115000
CHEMICAL NAME :
Isothiocyanic acid, phenethyl ester
CAS REGISTRY NUMBER :
2257-09-2
BEILSTEIN REFERENCE NO. :
2084162
LAST UPDATED :
199701
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C9-H9-N-S
MOLECULAR WEIGHT :
163.25
WISWESSER LINE NOTATION :
SCN2R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
Mutation test systems - not otherwise specified

MUTATION DATA

TEST SYSTEM :
Mammal - species unspecified
DOSE/DURATION :
800 ug/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 300,111,1993
Symbol GHS07 GHS08
GHS07, GHS08
Signal Word Danger
Hazard Statements H302 + H312 + H332-H315-H317-H319-H334-H335
Precautionary Statements P261-P280-P305 + P351 + P338-P342 + P311
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn:Harmful;
Risk Phrases R20/21/22
Safety Phrases S23-S26-S36-S36/37
RIDADR UN 2206 6.1/PG 3
WGK Germany 3
RTECS NX9115000
Packaging Group III
Hazard Class 8
HS Code 2930909090
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%

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title: CAS No. 2257-09-2 | Chemsrc address: https://m.chemsrc.com/en/baike/1094892.html

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