Ingredient Dictionary

HEPTANAL

Heptanal is an n-alkanal resulting from the oxidation of the alcoholic hydroxy group of heptan-1-ol to the corresponding aldehyde.

Definition

Heptanal is an n-alkanal resulting from the oxidation of the alcoholic hydroxy group of heptan-1-ol to the corresponding aldehyde. An endogenous aldehyde coming from membrane lipid oxidation, it is found in the blood of lung cancer patients and has been regarded as a potential biomarker of lung cancer. It has a role as a biomarker. It is a n-alkanal, a saturated fatty aldehyde and a medium-chain fatty aldehyde.

Source: PubChem

US FDA substance register · UNII 92N104S3HF · registered name Heptanal · 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

HEPTANALINCI

CAS No.chemical registry number: 111-71-7
EC No.EU chemical inventory number: 203-898-4
DTXSIDUS EPA chemical ID: DTXSID0021597
DTXCIDUS EPA compound ID: DTXCID601597

IUPAC: Heptanal
Molecular formula: C7H14O
Molecular weight: 114.188 g/mol

Measured properties

Appearance: N-heptaldehyde appears as a colorless, oily liquid with a penetrating fruity odor. Insoluble in water and less dense than water. Hence floats on water. Used to make perfumes and pharmaceuticals. · Liquid
Odour: FATTY, PUNGENT ODOR · Penetrating fruity odor
Boiling point: 307 °F at 760 mmHg (NTP, 1992) · 152.8 °C
Melting point: -45 °F (NTP, 1992) · -43.3 °C
Solubility: less than 1 mg/mL at 70 °F (NTP, 1992) · Miscible with alcohol, ether. Soluble in 3 volumes of 60% alcohol.
Density: 0.8495 at 68 °F (NTP, 1992) - Less dense than water, will float · 0.82162 g/cu cm at 25 °C
Viscosity: 0.977 cP at 15 °C, 0.791 cP at 30 °C · 0.98 cP (15 C)
Colour: colourless
Melting/freezing point: -43 ℃
Initial boiling point and range: 153 ℃
Flash point: 35 ℃((c.c.))
Upper/lower flammability or explosive limits: 7.1 / 1.1 %
Vapour pressure: 3.52 ㎜Hg ((25 ℃))
Vapour density: (&amp, gt, 1)
Relative density: 0.8495
n-Octanol/water partition coefficient (Kow): 2.29
Auto-ignition temperature: 250 ℃
Molecular weight: 114.19

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 15 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.

Fragrance11
Flavouring and nutrient2
Intermediate2

Source: US EPA CompTox dashboard

Irritation and sensitisation studies

4 skin studies and 3 eye studies are on record.

Classed as highly irritating1Classed as moderate1Classed as low1

The studies disagree (the most common conclusion covers 33%), so they do not establish that this ingredient is irritating. These tests are on the raw material itself; irritation at the amount in a finished product is a different question.

See all 7 studies

Not likely to be sensitizing
skin sensitisation: in vivo (non-LLNA) · Screening · according to OECD Guideline 406 (Skin Sensitisation)
Classification not possible
Skin Sensitization · Screening
Severe Irritation
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) equivalent or similar to
Category 2
Skin Irritation · Screening
Moderate or Mild Irritation
eye irritation: in vivo · Screening · other guideline: 40 CFR Part 163.81-' (Environmental protection agency pesticide programs. Proposed guidelines for registering pesticides in U.S.; hazard evaluation: humans and domestic animal. Primary eye irritation study) according to OECD Guideline 405 (Acute Eye Irritation / Corrosion) equivalent or similar to
Category 2B
Eye Irritation · Screening
Category 6.4A (Category 2A)
Eye Irritation · Read Across