Benzonitrile is a nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group.
Definition
Benzonitrile is a nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group. It is a nitrile and a member of benzenes.
Source: PubChem
US FDA substance register · UNII 9V9APP5H5S · registered name Benzonitrile · single chemical substance
Cosmetic roles
Safety & regulatory references
Not classified under Korea’s toxic-substance GHS list · existing chemical substance
More data — names, identifiers, properties, test records, literature
Names & identifiers
- CAS No.chemical registry number
- 100-47-0
- EC No.EU chemical inventory number
- 202-855-7
- DTXSIDUS EPA chemical ID
- DTXSID7021491
- DTXCIDUS EPA compound ID
- DTXCID001491
- IUPAC
- Benzonitrile
- Molecular formula
- C7H5N
- Molecular weight
- 103.124 g/mol
Measured properties
- Appearance
- liquid
- Colour
- colourless
- Melting/freezing point
- -12.8 ℃
- Initial boiling point and range
- 190.7 ℃
- Flash point
- 75 ℃(c.c.)
- Upper/lower flammability or explosive limits
- 7.2 / 1.4 %
- Vapour pressure
- 102 ㎩ (25℃)
- Water solubility
- 0.2 g/100㎖ (25℃)
- Vapour density
- 3.6
- Relative density
- 1
- n-Octanol/water partition coefficient (Kow)
- 1.56
- Auto-ignition temperature
- 550 ℃
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 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.
- Fragrance3
- Flavouring and nutrient1
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
2 skin studies and 2 eye studies are on record.
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 4 studies
- Category 2
Skin Irritation · Screening - Classification not possible
Skin Sensitization · Screening - Studies Indicate No Significant Irritation
eye irritation: in vivo · Screening · other guideline: FDA Fed.Reg. 28 (119), 5582, 1963 equivalent or similar to - Category 2A-2B
Eye Irritation · Screening
Source: US EPA CompTox dashboard
Related literature
- Determination of Two Potential Genotoxic Impurities in Crisaborole API by UPLC-MS/MS · 2023
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- Vinyl halogenated fatty acids display antibacterial activity against clinical isolates of methicillin-resistant Staphylococcus aureus · 2022
- Ultrathin Modified Silica “Skin” for the Transfer Hydrogenation Catalyst: Improving Selectivity by Adjusting Surface Wettability · 2021
- Formation of highly toxic hydrogen cyanide upon ruby laser irradiation of the tattoo pigment phthalocyanine blue · 2015
Linked databases 16
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- ChEMBL
- EU CosIng ingredient list 2
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- NIST Chemistry WebBook
- PubChem
- Tlooto literature search 2 3 4 5
- UniChem cross-reference IDs
- US EPA CompTox dashboard 2
- US EPA DSSTox chemical database
- US FDA substance registration (GSRS)
- US FDA Unique Ingredient Identifier (UNII)
- Wikidata
- Wikipedia · English · Japanese · Chinese