Ingredient Dictionary

PHENYLACETONITRILE

Phenylacetonitrile is a nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a phenyl group.

Definition

Phenylacetonitrile is a nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a phenyl group. It has a role as a pheromone and an animal metabolite. It is a nitrile and a member of benzenes. It is functionally related to an acetonitrile.

Source: PubChem

US FDA substance register · UNII 23G40PRP93 · registered name Phenylacetonitrile · single chemical substance

Source: US FDA Unique Ingredient Identifier (UNII)

Cosmetic roles

Listed as a fragrance-composition material (not a claim that it adds scent)FRAGRANCE

Safety & regulatory references

Banned: Argentina · ASEAN · Brazil · Canada · China · European Union · International fragrance standard (IFRA) · South Korea · United Kingdom

Source: ASEAN Cosmetic Directive · EU Cosmetics Regulation · Health Canada Cosmetic Ingredient Hotlist · IFRA fragrance standards · MFDS (Korea) cosmetic regulatory information · UK cosmetics regulations (OPSS)

Korea’s toxic-substance GHS classification: Danger · H301 (category 3) · H330 (category 2) · H311 (category 3)

Source: Korea toxic substances GHS register (NIER)

EU Cosmetics Regulation, Annex II (prohibited substances), entry 424

Source: EU prohibited substances (Annex II)

Health Canada Cosmetic Ingredient Hotlist · prohibited in cosmetics

Source: Health Canada Cosmetic Ingredient Hotlist

Restriction II/424

Source: EU CosIng ingredient list

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

Names & identifiers

PHENYLACETONITRILEINCI페닐아세토나이트릴Korean label name (MFDS standard)BenzeneacetonitrileSynonym

CAS No.chemical registry number: 140-29-4
EC No.EU chemical inventory number: 205-410-5
DTXSIDUS EPA chemical ID: DTXSID2021492
DTXCIDUS EPA compound ID: DTXCID401492

IUPAC: Phenylacetonitrile
Molecular formula: C8H7N
Molecular weight: 117.151 g/mol

Measured properties

Appearance: Phenylacetonitrile, liquid appears as a colorless oily liquid with an aromatic odor. Insoluble in water and slightly denser than water. Contact may irritate skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals. · CBI
Odour: Aromatic odor
Boiling point: 451.4 °F at 760 mmHg (EPA, 1998) · 233.5 °C
Melting point: -10.8 °F (EPA, 1998) · -23.8 °C
Solubility: less than 1 mg/mL at 63 °F (NTP, 1992) · Miscible with oxygenated solvents.
Density: 1.0214 at 59 °F (EPA, 1998) - Denser than water, will sink · 1.0205
Colour: colourless
Melting/freezing point: -23.8 ℃
Initial boiling point and range: 233.5 ℃
Flash point: 102 ℃(Closed cup)
Vapour pressure: 0.089 ㎜Hg(25℃)
Water solubility: 100 ㎎/ℓ(25℃)
Vapour density: 4.04
Relative density: 1.0205 (g/cm³ at 15°C)
n-Octanol/water partition coefficient (Kow): 1.56
Auto-ignition temperature: 590 ℃(1 atm)
Molecular weight: 117.15

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 2 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.

Fragrance1
Deodorizer1

Source: US EPA CompTox dashboard

Irritation and sensitisation studies

2 skin studies and 1 eye studies are on record.

Classed as low1

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

Classification not possible
Skin Sensitization · Screening
Not classified
Skin Irritation · Screening
Category 2
Eye Irritation · Screening