Ingredient Dictionary

HEPTANOIC ACID

Heptanoic acid is a C7, straight-chain fatty acid that contributes to the odour of some rancid oils.

Definition

Heptanoic acid is a C7, straight-chain fatty acid that contributes to the odour of some rancid oils. Used in the preparation of esters for the fragrance industry, and as an additive in cigarettes. It has a role as a plant metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of a heptanoate.

Source: PubChem

US FDA substance register · UNII THE3YNP39D · registered name Heptanoic acid · single chemical substance

Source: US FDA Unique Ingredient Identifier (UNII)

Cosmetic roles

Gives the product a scentPERFUMING

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

HEPTANOIC ACIDINCI

CAS No.chemical registry number: 111-14-8
EC No.EU chemical inventory number: 203-838-7
DTXSIDUS EPA chemical ID: DTXSID2021600
DTXCIDUS EPA compound ID: DTXCID301600

IUPAC: Heptanoic acid
Molecular formula: C7H14O2
Molecular weight: 130.187 g/mol

Measured properties

Appearance: Heptanoic acid appears as a colorless liquid with a pungent odor. Less dense than water and poorly soluble in water. Hence floats on water. Very corrosive. Contact may likely burn skin, eyes, and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Flash point near 200 °F. · Liquid, Other Solid
Odour: Disagreeable, rancid odor, faint tallow-like odor when spectroscopically pure.
Boiling point: 432 to 473 °F at 760 mmHg (NTP, 1992) · 222.2 °C
Melting point: 16 °F (NTP, 1992) · -7.17 °C
Solubility: 1 to 10 mg/mL at 73 °F (NTP, 1992) · Solubility in water = 0.2419 g/100 mL water at 15 °C, soluble in ethanol, ether, DMF, dimethyl sulfoxide.
Density: 0.92 at 68 °F (USCG, 1999) - Less dense than water, will float · 0.9181 at 20 °C/4 °C
Viscosity: 3.40 cP at 30 °C, 0.82 cP at 120 °C · 4.8 mm²/s at 20 °C
Dissociation constant: pKa = 4.4 at 25 °C · pKa = 4.893 at 25 °C
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 10 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.

Fragrance3
Flavouring and nutrient2
Lubricating agent1
No specific technical function1
Processing aids not otherwise specified1
pH regulating agent1
Intermediate1

Source: US EPA CompTox dashboard

Irritation and sensitisation studies

7 skin studies and 2 eye studies are on record.

Classed as highly irritating1

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 9 studies

Corrosive
skin irritation: in vivo · Screening · other guideline: 49 CFR 173.240. according to
Classification not possible
Skin Sensitization · Screening
Skin Corr. 1B
Skin Irritation · Authoritative
Corrosive
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) equivalent or similar to
Category 8.2C (Category 1C)
Skin Irritation · Read Across
Not likely to be sensitizing
skin sensitisation: in vivo (non-LLNA) · Screening · according to OECD Guideline 406 (Skin Sensitisation) according to EU Method B.6 (Skin Sensitisation)
Category 1
Skin Irritation · Screening
Category 8.3A (Category 1)
Eye Irritation · Read Across
Category 1
Eye Irritation · Screening