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Heptanoic acid, ester with 2,2-dimethyl-1,3-propanediol

Catalog Number

ACM68855185

CAS

68855-18-5

Structure

IUPAC Name

2,2-Dimethylpropane-1,3-diol;heptanoic acid

Synonyms

Neopentyl glycol heptanoate

Molecular Weight

328.49

Molecular Formula

C19H36O4

Canonical SMILES

CCCCCCC(=O)O.CC(C)(CO)CO

InChI

VRYUGRNJSPQWJC-UHFFFAOYSA-N

InChI Key

InChI=1S/C7H14O2.C5H12O2/c1-2-3-4-5-6-7(8)9;1-5(2,3-6)4-7/h2-6H2,1H3,(H,8,9);6-7H,3-4H2,1-2H3

Active Content

95%

Physical State

Liquid

Typical Applications

Emollient; Lipophilic viscosity increasing agent

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

Custom Q&A

What is the CAS number for Heptanoic acid, ester with 2,2-dimethyl-1,3-propanediol?

The CAS number is 68855-18-5.

What are some synonyms for Heptanoic acid, ester with 2,2-dimethyl-1,3-propanediol?

One synonym is Neopentyl glycol heptanoate.

What is the IUPAC name for this compound?

The IUPAC name is 2,2-Dimethylpropane-1,3-diol;heptanoic acid.

What is the molecular weight of Heptanoic acid, ester with 2,2-dimethyl-1,3-propanediol?

The molecular weight is 328.49.

What is the molecular formula of this compound?

The molecular formula is C19H36O4.

What is the SMILES representation of Heptanoic acid, ester with 2,2-dimethyl-1,3-propanediol?

The SMILES representation is CCCCCCC(=O)O.CC(C)(CO)CO.

What is the InChI for this compound?

The InChI is VRYUGRNJSPQWJC-UHFFFAOYSA-N.

What is the InChI Key for Heptanoic acid, ester with 2,2-dimethyl-1,3-propanediol?

The InChI Key is InChI=1S/C7H14O2.C5H12O2/c1-2-3-4-5-6-7(8)9;1-5(2,3-6)4-7/h2-6H2,1H3,(H,8,9);6-7H,3-4H2,1-2H3.

What is the percentage of actives in this compound?

The percentage of actives is 95%.

What are some typical applications of Heptanoic acid, ester with 2,2-dimethyl-1,3-propanediol?

Some typical applications include as an emollient and as a lipophilic viscosity increasing agent.

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