Phenylmethyl 2-methylpropanoate is a carboxylic ester.
Definition
Phenylmethyl 2-methylpropanoate is a carboxylic ester. It is functionally related to a benzyl alcohol.
Source: PubChem
US FDA substance register · UNII P98PE45V9M · registered name BENZYL ISOBUTYRATE · 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
- 103-28-6
- EC No.EU chemical inventory number
- 203-095-9
- DTXSIDUS EPA chemical ID
- DTXSID6047602
- DTXCIDUS EPA compound ID
- DTXCID4027602
- IUPAC
- Benzyl 2-methylpropanoate
- Molecular formula
- C11H14O2
- Molecular weight
- 178.231 g/mol
Measured properties
- Molecular weight
- 178.25
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 6 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.
- Fragrance4
- Flavouring and nutrient2
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
4 skin studies and 4 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 8 studies
- Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · other guideline: as mentioned below according to - Not likely to be sensitizing
skin sensitisation · Screening · according to other guideline: as mentioned below - Not likely to be sensitizing
skin sensitisation: in vivo (non-LLNA) · Screening · equivalent or similar to OECD Guideline 406 (Skin Sensitisation) - Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · other guideline: as mentioned below equivalent or similar to - Studies Indicate No Significant Irritation
eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) according to - Corrosive or Irritation Persists for > 21 days
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) according to - Studies Indicate No Significant Irritation
eye irritation: in vivo · Screening · other guideline: Draize test equivalent or similar to - Studies Indicate No Significant Irritation
eye irritation: in vivo · Screening · other guideline: as below according to
Source: US EPA CompTox dashboard
Related literature
- RIFM fragrance ingredient safety assessment, benzyl isobutyrate, CAS Registry Number 103-28-6. · 2016 · Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
- Fragrance material review on benzyl isobutyrate. · 2012 · Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
Linked databases 15
- 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
- PubMed 2
- 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