What is the NOAEL for Isopentyl benzoate?
Isopentyl benzoate has 12 NOAEL studies in the database. The lowest reported value is 16.8984162040989 uM. Source: NTP_ICE_endocrine.
NOAEL Data
REACH Registered
Cosmetic Ingredient
Isopentyl benzoate
Also known as: Isoamyl benzoate, Benzoic acid, 1-(3-methyl)butyl ester, BRN 1946447, EINECS 202-334-4, FEMA No. 2058 (+6 more)
CAS 94-46-2
Isopentyl benzoate (CAS 94-46-2) is a chemical substance. Key regulatory status: REACH registered, 4 regulatory/inventory lists, cosmetic ingredient cross-reference; source data from EPA ToxValDB, EPA CPDat, AICIS, ECHA REACH.
SOURCE
noael studies public
NOAEL studies
12
SOURCE
chemical inventory jurisdictions
Regulatory lists
4
SOURCE
eu clp annex vi
GHS signal
Not classified
Chemical Identity
CAS, identifiers, formula, and alternate names for the matched substance record.
SOURCE
DSSTox identifiers
17 fields
Name
Isopentyl benzoate
CAS Number
94-46-2
DTXSID
DTXSID8047185
Molecular Formula
C12H16O2
InChI Key
MLLAPOCBLWUFAP-UHFFFAOYSA-N
Monoisotopic Mass
192.11503
Synonyms
Isoamyl benzoateBenzoic acid, 1-(3-methyl)butyl esterBRN 1946447EINECS 202-334-4FEMA No. 2058Isopentyl alcohol, benzoate1-(3-Methyl)butyl benzoate3-Methylbutyl benzoate3-Methyl-1-butyl benzoateNSC 9284UNII-0AY72CK43K
Functional Uses
Industrial and product-use categories associated with this substance.
SOURCE
EPA CPDat
10 records
FragranceFlavouring and nutrient
Regulatory Lists
Inventory, screening, and regulatory list matches from public chemical databases.
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EPA CPDat
4 records
| List | Keyword | Source |
|---|---|---|
| IFRA Transparency | IFRA | IFRA |
| food_additive; Substances Added to Food (formerly EAFUS) (2/2019) | FDA | United States Food and Drug Administration (FDA) |
| consumer_product | P&G | Proctor & Gamble |
| Europe | European Commission | Fl@vis |
NOAEL Studies
Toxicology endpoints rendered from public NOAEL study rows.
SOURCE
NOAEL studies
Showing 12 of 12 studies
| Value | Unit | Endpoint | Route | Species | Source |
|---|---|---|---|---|---|
| 17.7946910382024 | uM | AC50 | - | - | NTP_ICE_endocrine |
| 16.8984162040989 | uM | ACC | - | - | NTP_ICE_endocrine |
| 0AY72CK43K | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| 0AY72CK43K | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| 0AY72CK43K | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| - | % | Incidence of positive responses | Dermal | Human | NTP_ICE_skin_sensitization |
| 3888 | ug/cm2 | Induction dose per skin area | Dermal | Human | NTP_ICE_skin_sensitization |
| =6330 | mg/kg bw | LD50 | oral | Rat | NTP_ICE_acute_oral |
| - | unitless | Model Score | - | - | NTP_ICE_endocrine |
| 0.00166 | unitless | Model Score | - | - | NTP_ICE_endocrine |
| 0.00371 | unitless | Model Score | - | - | NTP_ICE_endocrine |
| 3 | unitless | Relative reliability score | Dermal | Human | NTP_ICE_skin_sensitization |
Showing 12 of 12 studies
REACH Registration
Registration status from the ECHA REACH registered substances database.
SOURCE
ECHA (EU)
1 records
| Status | Name | EC Number | Link |
|---|---|---|---|
| Registered | Isopentyl benzoate | 202-334-4 | ECHA overview → |
Australian Status (AICIS)
Australian industrial chemicals inventory status and applicable conditions.
SOURCE
AICIS inventory
1 records
Inventory Status
listed
Cosmetic Safety Profile
Same-CAS cosmetic ingredient record for cross-vertical context.
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CosIng / Ingredients DB
EU Status
permitted
Max
-
Category
Fragrance
Pharmaceutical Data
Same-CAS pharmaceutical records from drug and bioactivity sources.
SOURCE
EMBL-EBI ChEMBL
BENZOIC ACID 1-(3-METHYL)BUTYL ESTER
ChEMBL Phase
Not listed
Adverse Events
0
Bioactivity
0
Food Safety Data
Same-CAS food additive, ADI, and GRAS records where available.
SOURCE
EFSA / FDA GRAS
1 records
ADI: No safety concern at current levels of intake when used as a flavouring agent mg/kg bw
View full food safety profile →Cannabis Data
Same-CAS cannabis compliance and lab records where available.
SOURCE
Cannabis regulatory / lab data
efsa substances
1 cannabis record found in efsa substances.
View full cannabis profile →Frequently Asked Questions
What regulatory lists include Isopentyl benzoate?
Isopentyl benzoate appears on 4 regulatory/inventory lists including IFRA Transparency, food_additive; Substances Added to Food (formerly EAFUS) (2/2019), consumer_product, and 1 more. Source: EPA CPDat.
Is Isopentyl benzoate used in cosmetics?
Yes, Isopentyl benzoate is also indexed as a cosmetic ingredient under the name Isoamylbenzoate. View the full cosmetic safety profile on the ingredient page for detailed safety data, SCCS opinions, and regulatory status.
Where does the safety data for Isopentyl benzoate come from?
Safety data is sourced from EPA ToxValDB, EPA CPDat, AICIS (Australian Industrial Chemicals Introduction Scheme), EPA DSSTox, ECHA REACH, CosIng / Ingredients DB, ChEMBL / DailyMed, EFSA / FDA GRAS, cannabis regulatory/lab databases. All data traces to primary regulatory sources and is updated from official government databases.
Is Isopentyl benzoate used outside industrial chemicals?
Isopentyl benzoate also appears in cosmetics, pharmaceutical, food safety, cannabis databases.