MedKoo Cat#: 581963 | Name: Pentaerythrityl tetracaprate

Description:

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

Pentaerythrityl tetracaprate is an ester found in cosmetics and beauty products because of its binding and moisturizing properties; it is also used as a viscosity increasing agent. It is a synthetic compound derived from fatty acids, according to research. It can be caused Allergic contact dermatitis.

Chemical Structure

Pentaerythrityl tetracaprate
Pentaerythrityl tetracaprate
CAS#13784-61-7

Theoretical Analysis

MedKoo Cat#: 581963

Name: Pentaerythrityl tetracaprate

CAS#: 13784-61-7

Chemical Formula: C45H84O8

Exact Mass: 752.6166

Molecular Weight: 753.16

Elemental Analysis: C, 71.76; H, 11.24; O, 16.99

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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Synonym
Pentaerythrityl tetracaprate; Pentaerythritol tetracaprate; Pentaerythritol tetradecanoate; Decanoic acid, neopentanetetrayl ester; Pentaerythritol tetraacaprate;
IUPAC/Chemical Name
2,2-Bis(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate
InChi Key
MXNODNKXIIQMMI-UHFFFAOYSA-N
InChi Code
InChI=1S/C45H84O8/c1-5-9-13-17-21-25-29-33-41(46)50-37-45(38-51-42(47)34-30-26-22-18-14-10-6-2,39-52-43(48)35-31-27-23-19-15-11-7-3)40-53-44(49)36-32-28-24-20-16-12-8-4/h5-40H2,1-4H3
SMILES Code
CCCCCCCCCC(OCC(COC(CCCCCCCCC)=O)(COC(CCCCCCCCC)=O)COC(CCCCCCCCC)=O)=O
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
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 753.16 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
1: Al Ali A, Mireault J, Tremblay C, Sasseville D. Allergic contact dermatitis caused by pentaerythrityl tetracaprylate/tetracaprate. Contact Dermatitis. 2017 Jul;77(1):58-59. doi: 10.1111/cod.12748. PubMed PMID: 28612437.