Allyl heptanoate

CAS Number: 142-19-8

Molecular Formula: C10H18O2

Purity: Allyl heptanoate 97-98% purity

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About Allyl heptanoate

Allyl heptanoate (CAS 142-19-8) is a sophisticated ester gaining significant traction in the API intermediates market as a high purity fine chemicals building block for specialized organic synthesis, where precise molecular weight and stability are required to meet modern CDMO growth demands (Pharma/API purity 99% | Ge...

Synonyms

Allyl heptanoate
142-19-8
Allyl heptylate
Allyl enanthate
2-Propenyl heptanoate

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Allyl heptanoate Specifications

CAS Number

142-19-8

Molecular Formula

C10H18O2

Molecular Weight

170.25 g/mol

IUPAC Name

prop-2-enyl heptanoate

Canonical SMILES

CCCCCCC(=O)OCC=C

InChI Key

SJWKGDGUQTWDRV-UHFFFAOYSA-N

InChI

InChI=1S/C10H18O2/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3

PubChem CID

8878

EINECS Number

205-527-1

MDL Number

MFCD00038341

HSN No

29159090

CAS Number

142-19-8

Molecular Formula

C10H18O2

Molecular Weight

170.25 g/mol

IUPAC Name

prop-2-enyl heptanoate

Canonical SMILES

CCCCCCC(=O)OCC=C

InChI Key

SJWKGDGUQTWDRV-UHFFFAOYSA-N

InChI

InChI=1S/C10H18O2/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3

PubChem CID

8878

EINECS Number

205-527-1

MDL Number

MFCD00038341

HSN No

29159090

boiling_point

210.00 to 212.00 °C. @ 760.00 mm Hg

solubility

63 mg/L @ 20 °C (exp)

density

0.880-0.885

Molecular Weight

170.25 g/mol

Purity

Allyl heptanoate 97-98% purity

Melting Point

-66 °C

Boiling Point

210 °C

Freezing point

-66°C

Flash Point

82 °C

pKa

6676c1e9b38954b972d1f334

Precise Quality

142-19-8

PSA

26.3 Å²

logP

3.97

Average mass

170.25 g/mol

Monoisotopic mass

170.13068 Da

Molar mass

170.25 g/mol

Vapour pressure

30.3 Pa at 25 °C

Precautionary Statement Codes

P210, P260, P261, P264, P270, P271, P273, P280, P301+P310, P301+P312, P301+P316, P302+P352, P304+P340, P305+P351+P338, P312, P316, P321, P330, P332+P313, P337+P313, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

Acute Tox. 3 (100%) Acute Tox. 4 (100%)

Flavoring Agent

A versatile flavoring substance used primarily in the food and beverage industry to impart a sweet, tropical, pineapple-like aroma and taste to products such as candies, beverages, baked goods, and dairy

Fragrance Ingredient

A fruity-scented aroma chemical utilized in fine fragrances, personal care formulations, and cosmetics to provide fresh, tropical top-to-mid notes reminiscent of apple and banana

Organic Synthesis Building Block

A functionalized ester used as a reagent or intermediate in academic and industrial research for the development of complex molecules, specialty chemicals, and pharmaceutical compounds

Polymer Production Intermediate

A chemical precursor used in the synthesis of specialized polymers and copolymers to enhance material properties such as flexibility and durability for packaging and coatings applications.