ChemicalBook--->CAS DataBase List--->30950-27-7

30950-27-7

30950-27-7 Structure

30950-27-7 Structure
IdentificationBack Directory
[Name]

Perillartine
[CAS]

30950-27-7
[Synonyms]

perillasugar
Peryllartine
PERILLARTINE
Perilla sugar
1-PERILLALDEHYDE A-ANTIOXIME
1-perillaldehydealpha-antioxime
l-perillaldehydealpha-syn-oxime
l-Perillaldehyde alpha-syn-oxime
1-Perillaldehyde alpha-antioxime
(E)-1-Cyclohexene-1-carboxaldehyde
4-Isopropenyl-1-cyclohexene-1-carbaldehyde oxime
4-Isopropenyl-1-cyclohexene-1-carbaldehyde (E)-oxime
4-isopropenyl-1-cyclohexene-1-carboxaldehydanti-oxime
(E)-4-(1-methylvinyl)cyclohexene-1-carbaldehyde oxime
(E)-4-(Prop-1-en-2-yl)cyclohex-1-enecarbaldehyde oxiMe
4-isopropenyl-1-cyclohexene-1-carboxaldehyde,anti-oxime
4-Isopropenyl-1-cyclohexene-1-carboxaldehyde, anti-oxime
1-Cyclohexene-1-carboxaldehyde, 4-isopropenyl-, anti-oxime
4-(1-Methylethenyl)-1-cyclohexene-1-carbaldehyde (E)-oxime
4-(1-methylethenyl)-,oxime,(e)-1-cyclohexene-1-carboxaldehyd
4-(1-methylethenyl)-,oxime,(E)-1-Cyclohexene-1-carboxaldehyde
1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-, oxime, (E)-
Perillartine (E)-4-(1-Methylvinyl)cyclohexene-1-carbaldehyde oxime
[EINECS(EC#)]

250-402-7
[Molecular Formula]

C10H15NO
[MDL Number]

MFCD00019421
[MOL File]

30950-27-7.mol
[Molecular Weight]

165.23
Chemical PropertiesBack Directory
[Melting point ]

102°C
[Boiling point ]

293.09°C (rough estimate)
[density ]

1.0203 (rough estimate)
[refractive index ]

1.5200 (estimate)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[solubility ]

DMSO : ≥ 100 mg/mL (605.22 mM);Water : < 0.1 mg/mL (insoluble)
[form ]

solid
[pka]

11.45±0.28(Predicted)
[color ]

Very sweet crystals
[InChI]

InChI=1S/C10H15NO/c1-8(2)10-5-3-9(4-6-10)7-11-12/h3,7,10,12H,1,4-6H2,2H3/b11-7+
[InChIKey]

XCOJIVIDDFTHGB-YRNVUSSQSA-N
[SMILES]

C(C1CC=C(/C=N/O)CC1)(=C)C
[NIST Chemistry Reference]

Perillartine(30950-27-7)
[EPA Substance Registry System]

1-Cyclohexene-1carboxaldehyde, 4-(1-methylethenyl)-, oxime, (E)-(30950-27-7)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H315
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39
[TSCA ]

TSCA listed
[HS Code ]

2928009090
[Toxicity]

LD50 orl-rat: 2500 mg/kg AFDOAQ 15,82,51
Hazard InformationBack Directory
[Uses]

Perillartine (perillaldehyde anti-aldoxime) is a natural sugar substitute extracted from Japanese perilla (shiso) leaves, a low-calorie, nontoxic, high-sweetness additive used in the tobacco industry and as a sweetener in beverages and pastries, and is twice as sweet as sucralose[1][2]. Perillartine was used in molecular docking with the enzyme SRD5A2, where it occupied the binding site of the substrate testosterone[1].
[Safety Profile]

Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
[References]

[1]Xiao, Y., Jia, M., Jiang, T., Zhang, C., Qi, X., Sun, Y., Gao, J., Zhou, L., & Li, Y. (2022). Dietary supplementation with perillartine ameliorates lipid metabolism disorder induced by a high-fat diet in broiler chickens. Biochemical and Biophysical Research Communications, 625, 66–74. https://doi.org/10.1016/j.bbrc.2022.07.116
[2]Biedrzycka, A., Tkach, V. V., Storochchuk, N. M., Demianenko, E., Paientko, V., Gładysz-Płaska, A., & Skwarek, E. (2023). Magnetite as a Versatile Material – Application as an Electrochemical Sensor in the Determination of Sucralose and Perilartin in Drinks and as an Adsorbent for Uranium – Theoretical Description. 2023 IEEE 13th International Conference Nanomaterials: Applications &amp; Properties (NAP), IMT09–1-IMT09-4. https://doi.org/10.1109/nap59739.2023.10310964
Spectrum DetailBack Directory
[Spectrum Detail]

Perillartine(30950-27-7)1HNMR
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