Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester is an alkylbenzene.
Definition
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester is an alkylbenzene.
Source: PubChem
US FDA substance register · UNII 35RWF1ITXJ · registered name METHYL DI-T-BUTYL HYDROXYHYDROCINNAMATE · single chemical substance
Cosmetic roles
Safety & regulatory references
Not classified under Korea’s toxic-substance GHS list · existing chemical substance
Other restriction: ban substances that deplete the ozone layer
Source: EU CosIng ingredient list
More data — names, identifiers, properties, test records, literature
Official labels & definitions
JCIA labelling name ジ-t-ブチルヒドロキシヒドロケイヒ酸メチル: 本品は、次の化学式で表される芳香族化合物である。
Source: JCIA labelling names (Japan)
Names & identifiers
- CAS No.chemical registry number
- 6386-38-5
- EC No.EU chemical inventory number
- 228-985-4
- DTXSIDUS EPA chemical ID
- DTXSID7027623
- DTXCIDUS EPA compound ID
- DTXCID707623
- IUPAC
- Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
- Molecular formula
- C18H28O3
- Molecular weight
- 292.419 g/mol
Measured properties
- Appearance
- solid
- pH
- 5.8 (20℃)
- Melting/freezing point
- 66.1 ℃
- Initial boiling point and range
- 335.8 ℃(1013 hPa)
- Vapour pressure
- (0.00002 hPa (25℃))
- Water solubility
- 2.2 ㎎/ℓ
- Vapour density
- 10.1
- Relative density
- 0.925 (25℃)
- n-Octanol/water partition coefficient (Kow)
- 5.5 (5.5-5.9)
- Auto-ignition temperature
- 370 ℃(1013 hPa)
- Molecular weight
- 292.42
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 15 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.
- Fragrance6
- Deodorizer4
- Antioxidant3
- Intermediate1
- Reducing agent1
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
4 skin studies and 4 eye studies are on record.
The studies disagree (the most common conclusion covers 33%), 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 8 studies
- Moderate or Mild Irritation
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) equivalent or similar to - Not classified
Skin Irritation · Screening - Classification not possible
Skin Sensitization · Screening - Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · other guideline: Proposed Guidelines of the United States Environmental Agency (EPA) s 163.81-5 "Primary dermal irritation study". Federal Register, Vol. 43, No. 163, August 22, 1978. according to - Not classified
Eye Irritation · Screening - Studies Indicate No Significant Irritation
eye irritation: in vivo · Screening · other guideline: Section 191.12 of the Final Order, Enforcement Regulations, Federal Register, Vol. 29. No. 182, P, 13009, 17 September 1964 according to - Studies Indicate No Significant Irritation
eye irritation: in vivo · Screening · other guideline: Proposed Guidelines of the United States Environmental Protection Agency (EPA) s 163.81-4 "Primary eye irritation study". Federal Register, Vol. 43, No. 163, August 22, 1978. according to - Studies Indicate No Significant Irritation
eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) equivalent or similar to
Source: US EPA CompTox dashboard
Linked databases 16
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- EU CosIng ingredient list 2
- JCIA labelling names (Japan)
- Korea Cosmetic Association ingredient dictionary
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- MFDS (Korea) cosmetic ingredient register 2
- NIST Chemistry WebBook
- PubChem
- 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