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Merck
CN

W355704

(S)-(−)-Perillaldehyde

≥92%

Synonym(s):

(−)-Perillaaldehyde, (S)-4-Isopropenyl-cyclohexene-1-carboxaldehyde, (S)-p-Mentha-1,8-dien-7-al

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About This Item

Empirical Formula (Hill Notation):
C10H14O
CAS Number:
Molecular Weight:
150.22
FEMA Number:
3557
Council of Europe no.:
4154
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
5.117
NACRES:
NA.21
Beilstein/REAXYS Number:
2326448
MDL number:
Organoleptic:
green; herbaceous
Grade:
Halal, Kosher
Biological source:
synthetic
Food allergen:
no known allergens
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biological source

synthetic

Quality Level

grade

Halal, Kosher

reg. compliance

FDA 21 CFR 172.515

assay

≥92%

optical activity

[α]20/D −120°, c = 10 in ethanol

refractive index

n20/D 1.508 (lit.)

bp

104-105 °C/10 mmHg (lit.)

density

0.965 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

green; herbaceous

SMILES string

CC(=C)[C@H]1CCC(C=O)=CC1

InChI

1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3/t10-/m1/s1

InChI key

RUMOYJJNUMEFDD-SNVBAGLBSA-N

General description

(S)-(-)-Perillaldehyde is a monoterpene aldehyde mainly found in the herb, Perilla frutescens. It is the key volatile flavor compound of orange juice and mandarin peel oil.

Disclaimer

For R&D or non-EU Food use. Not for retail sale.


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pictograms

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signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter



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Protocols

-β-Farnesene; α-Huµlene; Germacrene D; (+)-Valencene; Bicyclogermacrene; (+)-δ-Cadinene


Terpenes in the gas phase: The structural conformation of S-(?)-perillaldehyde investigated by microwave spectroscopy and quantum chemical calculations
Moreno JRA, et al.
Chemical Physics Letters, 473(1), 17-20 (2009)
Volatile flavour components of orange juice obtained from the cv. Kozan of Turkey
Selli S, et al.
J. Food Compos. Anal., 17(6), 789-796 (2004)
Conformational Flexibility in Terpenes: Vibrational Circular Dichroism (VCD), Infrared and Raman Study of S-(?)-Perillaldehyde
Partal UF, et al.
The Journal of Physical Chemistry A, 112(34), 7887-7893 (2008)



Global Trade Item Number

SKUGTIN
W355704-100G-K04061837536809
W355704-5KG-K04061837846700
W355704-1KG-K04061837846694
W355704-SAMPLE-K04061837536816