Ingredient Dictionary

METHYLHEPTANONE

5-Methylheptan-3-one is a ketone.

Definition

5-Methylheptan-3-one is a ketone.

Source: PubChem

US FDA substance register · UNII 9RQ13D247K · registered name 5-METHYL-3-HEPTANONE · 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

METHYLHEPTANONEINCI3-Heptanone, 5-methyl-Synonym

CAS No.chemical registry number: 541-85-5
EC No.EU chemical inventory number: 208-793-7
DTXSIDUS EPA chemical ID: DTXSID9047047
DTXCIDUS EPA compound ID: DTXCID7027047

IUPAC: 5-Methylheptan-3-one
Molecular formula: C8H16O
Molecular weight: 128.215 g/mol

Measured properties

Appearance: liquid
Colour: colourless
Odour threshold: 6 ppm
Melting/freezing point: -56.7 ℃
Initial boiling point and range: 157~162 ℃
Flash point: 43 ℃(C.C.)
Evaporation rate: 0.26
Vapour pressure: 0.267 ㎪ (25℃)
Water solubility: 0.3 g/100㎖ (20℃)
Vapour density: 4.4
Relative density: 0.82
n-Octanol/water partition coefficient (Kow): 3.35
Auto-ignition temperature: 413 ℃ (98675 Pa)
Viscosity: 0.8 (25℃)
Molecular weight: 128.24

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: KOSHA safety data sheets (Korea)

What products actually use it for

What the 21 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.

Fragrance20
Flavouring and nutrient1

Source: US EPA CompTox dashboard

Irritation and sensitisation studies

4 skin studies and 3 eye studies are on record.

Classed as highly irritating1Classed as moderate1

The studies disagree (the most common conclusion covers 50%), 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

Classification not possible
Skin Sensitization · Screening
Classification not possible
Skin Irritation · Screening
Severe Irritation
skin corrosion: in vitro / ex vivo · Screening · other guideline: - Protocol for IN VITRO EpiDermTM SKIN IRRITATION TEST (EPI-200-SIT), Rev. 3/23/2009, MatTek Corporation, Ashland, MA 01721, USA according to OECD Guideline 439 (In Vitro Skin Irritation: Reconstructed Human Epidermis Test Method) according to EU Method B.46 (In Vitro Skin Irritation: Reconstructed Human Epidermis Model Test) according to other guideline: - ECVAM international validation study on in vitro tests for acute skin irritation: Report on the validity of the EPISKIN and EpiDerm assays and on the Skin Integrity Func-tion Test (Altern Lab Anim. 2007 Dec; 35 (6): 559-601). according to
Skin corrosion/irritation - Category 2
Skin Irritation · Screening
Category 2
Eye Irritation · Screening
Eye Irrit. 2
Eye Irritation · Authoritative
Category 6.4A (Category 2A)
Eye Irritation · Read Across