MedKoo Cat#: 591777 | Name: Linalyl cinnamate

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Linalyl cinnamate is a fragrance chemical.

Chemical Structure

Linalyl cinnamate
Linalyl cinnamate
CAS# 78-37-5

Theoretical Analysis

MedKoo Cat#: 591777

Name: Linalyl cinnamate

CAS#: 78-37-5

Chemical Formula: C19H24O2

Exact Mass: 284.1776

Molecular Weight: 284.40

Elemental Analysis: C, 80.24; H, 8.51; O, 11.25

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Synonym
Linalyl cinnamate; NSC 46163; NSC-46163; NSC46163
IUPAC/Chemical Name
2-Propenoic acid, 3-phenyl-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
InChi Key
DPFUEXLIKDHJNB-BUHFOSPRSA-N
InChi Code
InChI=1S/C19H24O2/c1-5-19(4,15-9-10-16(2)3)21-18(20)14-13-17-11-7-6-8-12-17/h5-8,10-14H,1,9,15H2,2-4H3/b14-13+
SMILES Code
O=C(OC(C)(C=C)CC/C=C(C)\C)/C=C/C1=CC=CC=C1
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
More Info
Product Data
Biological target:
Linalyl cinnamate is a fragrance chemical.
In vitro activity:
TBD
In vivo activity:
TBD

Preparing Stock Solutions

The following data is based on the product molecular weight 284.40 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
TBD
In vitro protocol:
TBD
In vivo protocol:
TBD
1: Api AM, Belsito D, Bhatia S, Bruze M, Calow P, Dagli ML, Dkant W, Fryer AD, Kromidas L, La Cava S, Lalko JF, Lapczynski A, Liebler DC, Penning TM, Politano VT, Ritacco G, Salvito D, Schultz TW, Shen J, Sipes IG, Wall B, Wilcox DK. RIFM fragrance ingredient safety assessment, linalyl benzoate, CAS Registry Number 126-64-7. Food Chem Toxicol. 2016 Nov;97S:S180-S191. doi: 10.1016/j.fct.2016.09.023. Epub 2016 Sep 23. Review. PubMed PMID: 27670220. 2: Api AM, Belsito D, Bhatia S, Bruze M, Calow P, Dagli ML, Dekant W, Fryer AD, Kromidas L, La Cava S, Lalko JF, Lapczynski A, Liebler DC, Penning TM, Politano VT, Ritacco G, Salvito D, Schultz TW, Shen J, Sipes IG, Wall B, Wilcox DK. RIFM fragrance ingredient safety assessment, linalyl cinnamate, CAS Registry Number 78-37-5. Food Chem Toxicol. 2016 Nov;97S:S110-S118. doi: 10.1016/j.fct.2016.07.029. Epub 2016 Jul 28. Review. PubMed PMID: 27475043. 3: Bhatia SP, Wellington GA, Cocchiara J, Lalko J, Letizia CS, Api AM. Addendum to fragrance material review on linalyl cinnamate. Food Chem Toxicol. 2007;45 Suppl 1:S110-2. Epub 2007 Sep 15. Review. PubMed PMID: 18022308. 4: Letizia CS, Cocchiara J, Lalko J, Api AM. Fragrance material review on linalyl cinnamate. Food Chem Toxicol. 2003 Jul;41(7):989-93. Review. PubMed PMID: 12804654.