Ingredient Dictionary

CITRONELLYL BUTYRATE

Citronellyl butyrate is a carboxylic ester.

Definition

Citronellyl butyrate is a carboxylic ester.

Source: PubChem

US FDA substance register · UNII IY68QPD54V · registered name CITRONELLYL BUTYRATE · single chemical substance

Source: US FDA Unique Ingredient Identifier (UNII)

Citronellyl butanoate

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

CITRONELLYL BUTYRATEINCIButanoic acid, 3,7-dimethyl-6-octenyl esterSynonym

CAS No.chemical registry number: 141-16-2
EC No.EU chemical inventory number: 205-463-4
DTXSIDUS EPA chemical ID: DTXSID5047405
DTXCIDUS EPA compound ID: DTXCID3027405

IUPAC: 3,7-Dimethyloct-6-en-1-yl butanoate
Molecular formula: C14H26O2
Molecular weight: 226.36 g/mol

Measured properties

Appearance: colourless liquid/strong, fruity-rosy odour · liquid
Boiling point: 245.00 °C. @ 760.00 mm Hg · 245 °C
Solubility: miscible with alcohol, ether, most fixed oils, chloroform, insoluble in water · 1 ml in 6 ml 80% alcohol gives clear soln (in ethanol)
Density: 0.873-0.883
Colour: colourless
Flash point: &amp, gt, 110 ℃
Relative density: 0.87g/cm3 (at 25 C)
n-Octanol/water partition coefficient (Kow): 5.54 (est.)
Molecular weight: 226.36

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 4 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.

Fragrance2
Flavouring and nutrient2

Source: US EPA CompTox dashboard

Irritation and sensitisation studies

1 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 3 studies

High Frequency of Sensitization
skin sensitisation: in vivo (LLNA) · Screening · according to OECD Guideline 442B (Skin Sensitization: Local Lymph Node Assay: BrdU-ELISA) adopted 22 July 2010
Ambiguous
eye irritation: in vitro / ex vivo · Screening · other guideline: OECD Guideline 437 (Bovine Corneal Opacity and Permeability Test Method for Identifying i) Chemicals Inducing Serious Eye Damage and ii) Chemicals Not Requiring Classification for Eye Irritation or Serious Eye Damage) July 2013 according to
Studies Indicate No Significant Irritation
eye irritation: in vitro / ex vivo · Screening · other guideline: OECD Guideline 492 (Reconstructed Human Cornea-like Epithelium (RhCE) Test Method for Identifying Chemicals Not Requiring Classification and Labelling for Eye Irritation or Serious Eye Damage) Jul 2015 according to