Ingredient Dictionary

METHYL CAPROATE

Methyl hexanoate is a fatty acid methyl ester derived from hexanoic (caproic acid).

Definition

Methyl hexanoate is a fatty acid methyl ester derived from hexanoic (caproic acid). It has a role as a flavouring agent and a plant metabolite. It is a fatty acid methyl ester and a hexanoate ester.

Source: PubChem

US FDA substance register · UNII 246364VPJS · registered name Methyl hexanoate · single chemical substance

Source: US FDA Unique Ingredient Identifier (UNII)

Cosmetic roles

Makes skin soft and smoothSKIN CONDITIONING - EMOLLIENTGives the product a scentPERFUMINGKeeps skin in good condition (CosIng catch-all)SKIN CONDITIONING

Safety & regulatory references

Not classified under Korea’s toxic-substance GHS list · existing chemical substance

Source: Korea toxic substances GHS register (NIER)

More data — names, identifiers, properties, test records, literature

Names & identifiers

METHYL CAPROATEINCI메틸카프로에이트Korean label name (MFDS standard)Hexanoic acid, methyl esterSynonym

CAS No.chemical registry number: 106-70-7
EC No.EU chemical inventory number: 203-425-1
DTXSIDUS EPA chemical ID: DTXSID0047616
DTXCIDUS EPA compound ID: DTXCID8027616

IUPAC: Methyl hexanoate
Molecular formula: C7H14O2
Molecular weight: 130.187 g/mol

Measured properties

Appearance: Methyl caproate is a clear colorless liquid. (NTP, 1992) · Clear colorless liquid, [CAMEO]
Boiling point: 302 °F at 760 mmHg (NTP, 1992) · 148.00 to 150.00 °C. @ 760.00 mm Hg
Melting point: -96 °F (NTP, 1992) · -71 °C
Solubility: less than 1 mg/mL at 72 °F (NTP, 1992) · 1.33 mg/mL at 20 °C
Density: 0.8846 at 68 °F (NTP, 1992) - Less dense than water, will float · 0.880-0.889
Colour: colourless
Melting/freezing point: -71 ℃
Initial boiling point and range: 151 ℃
Flash point: 45 ℃
Vapour pressure: 3.72 ㎜Hg (at 25℃)
Water solubility: 1330 ㎎/ℓ
Relative density: 0.885
n-Octanol/water partition coefficient (Kow): 2.34 ((est.))
Viscosity: 1.05 cP
Molecular weight: 130.19

Values measured on the substance itself. The KOSHA data are a reference for writing and reviewing safety data sheets, not a specification for a commercial raw material.

Source: PubChem · KOSHA safety data sheets (Korea)

What products actually use it for

What the 8 products reported to the US EPA with this ingredient use it for. Products outside cosmetics are included, so the top few rows are its main uses.

Flavouring and nutrient3
Fragrance3
Softener and conditioner2

Source: US EPA CompTox dashboard

Irritation and sensitisation studies

2 skin studies and 1 eye studies are on record.

Classed as low2

The study conclusions largely agree (100%). These tests are on the raw material itself; irritation at the amount in a finished product is a different question.

See all 3 studies

Not likely to be sensitizing
skin sensitisation: in vivo (non-LLNA) · Screening · according to OECD Guideline 406 (Skin Sensitisation)
Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) adopted in 1981 according to
Studies Indicate No Significant Irritation
eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) adopted in 1987 according to