What is the GHS hazard classification for Methyl 2-octynoate?
Methyl 2-octynoate (CAS 111-12-6) is classified under EU CLP Annex VI as Skin Sens. 1A with signal word Warning. Hazard statements: H317. Source: EU CLP Annex VI (ECHA).
Warning
GHS07
NOAEL Data
REACH Registered
Cosmetic Ingredient
Methyl 2-octynoate
Also known as: Methyl heptine carbonate, 2-Octynoic acid, methyl ester, Methyl oct-2-ynoate, 4-02-00-01715, BRN 1756887 (+10 more)
CAS 111-12-6
Methyl 2-octynoate (CAS 111-12-6) is a chemical substance with GHS signal word Warning; key hazard signal: H317. Key regulatory status: REACH registered, 11 regulatory/inventory lists, cosmetic ingredient cross-reference; source data from ECHA CLP, EPA ToxValDB, EPA CPDat, AICIS, ECHA REACH.
SOURCE
NOAEL studies
NOAEL studies
69
SOURCE
Chemical inventory jurisdictions
Regulatory lists
11
SOURCE
EU CLP Annex VI
GHS signal
Warning
Chemical Identity
CAS, identifiers, formula, and alternate names for the matched substance record.
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DSSTox identifiers
21 fields
Name
Methyl 2-octynoate
CAS Number
111-12-6
DTXSID
DTXSID9047093
Molecular Formula
C9H14O2
InChI Key
FRLZQXRXIKQFNS-UHFFFAOYSA-N
Monoisotopic Mass
154.09938
Synonyms
Methyl heptine carbonate2-Octynoic acid, methyl esterMethyl oct-2-ynoate4-02-00-01715BRN 1756887EINECS 203-836-6FEMA No. 2729FolioneMethyl hept-1-yne-1-carboxylateMethyl 2-octinateMethyl 2-octynateMethyl pentylacetylenecarboxylate
GHS / CLP Classification
EU harmonized hazard classification, hazard statements, pictograms, and signal word.
SOURCE
EU CLP Annex VI (ECHA)
1 classifications
| Hazard Class | H-Statements | Pictograms | Signal |
|---|---|---|---|
| Skin Sens. 1A | H317 | GHS07 | Warning |
Functional Uses
Industrial and product-use categories associated with this substance.
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EPA CPDat
14 records
FragranceDeodorizerFlavouring and nutrient
Regulatory Lists
Inventory, screening, and regulatory list matches from public chemical databases.
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EPA CPDat
11 records
| List | Keyword | Source |
|---|---|---|
| Europe; Personal care; restricted | European Commission | CosIng |
| Europe; Personal care - deodorant | Danish Environmental Protection Agency | Danish EPA |
| IFRA Transparency | IFRA | IFRA |
| Europe | European Commission | Fl@vis |
| food_additive; Substances Added to Food (formerly EAFUS) (2/2019) | FDA | United States Food and Drug Administration (FDA) |
| consumer_product | P&G | Proctor & Gamble |
| Cleaning products and household care - laundry and fabric treatment - laundry detergent; Europe | Danish EPA | Danish EPA |
| Cleaning products and household care - air freshener; detected; Europe | Danish Environmental Protection Agency | Danish EPA |
| consumer_product; Europe; nondetect | Danish Environmental Protection Agency | Danish EPA |
| consumer_product; Europe; nondetect | Danish Environmental Protection Agency | Danish EPA |
| Europe | Danish Environmental Protection Agency | Danish EPA |
NOAEL Studies
Toxicology endpoints rendered from public NOAEL study rows.
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NOAEL studies
Showing 50 of 69 studies
| Value | Unit | Endpoint | Route | Species | Source |
|---|---|---|---|---|---|
| 28 | ug/mL | CD86, EC150 | Dermal | - | NTP ICE skin sensitization |
| 39.09 | ug/mL | CD86, EC150 | Dermal | - | NTP ICE skin sensitization |
| 69.83 | ug/mL | CV70 | Dermal | - | NTP ICE skin sensitization |
| 375.8 | ug/mL | CV75 | Dermal | - | NTP ICE skin sensitization |
| 0.25 | % | Concentration, 5% incidence of positive responses | Dermal | Human | NTP ICE skin sensitization |
| 0.2563 | % | Concentration, 5% incidence of positive responses | Dermal | Human | NTP ICE skin sensitization |
| 0.3125 | % | Concentration, 5% incidence of positive responses | Dermal | Human | NTP ICE skin sensitization |
| 0.3571 | % | Concentration, 5% incidence of positive responses | Dermal | Human | NTP ICE skin sensitization |
| 0.44 | % | Concentration, 5% incidence of positive responses | Dermal | Human | NTP ICE skin sensitization |
| 0.52 | % | Concentration, 5% incidence of positive responses | Dermal | Human | NTP ICE skin sensitization |
| 0.6 | % | Concentration, 5% incidence of positive responses | Dermal | Human | NTP ICE skin sensitization |
| 0.625 | % | Concentration, 5% incidence of positive responses | Dermal | Human | NTP ICE skin sensitization |
| 0.8333 | % | Concentration, 5% incidence of positive responses | Dermal | Human | NTP ICE skin sensitization |
| 2.4 | % | Concentration, 5% incidence of positive responses | Dermal | Human | NTP ICE skin sensitization |
| 0.125 | % | Concentration, one positive response | Dermal | Human | NTP ICE skin sensitization |
| 0.2 | % | Concentration, one positive response | Dermal | Human | NTP ICE skin sensitization |
| 0.2857 | % | Concentration, one positive response | Dermal | Human | NTP ICE skin sensitization |
| 0.4 | % | Concentration, one positive response | Dermal | Human | NTP ICE skin sensitization |
| 0.5 | % | Concentration, one positive response | Dermal | Human | NTP ICE skin sensitization |
| 0.6667 | % | Concentration, one positive response | Dermal | Human | NTP ICE skin sensitization |
| 2 | % | Concentration, one positive response | Dermal | Human | NTP ICE skin sensitization |
| 97.2 | % | Depletion Cys | Dermal | - | NTP ICE skin sensitization |
| - | % | Depletion Lys | Dermal | - | NTP ICE skin sensitization |
| 2.508 | uM | EC1.5 | Dermal | - | NTP ICE skin sensitization |
| 0.5 | % | EC3 | Dermal | Mouse | NTP ICE skin sensitization |
| 0.5 | % | EC3 | Dermal | Mouse | NTP ICE skin sensitization |
| 0.5 | % | EC3 | Dermal | Mouse | NTP ICE skin sensitization |
| 0.5 | % | EC3 | Dermal | Mouse | NTP ICE skin sensitization |
| 15.677 | uM | EC3 | Dermal | - | NTP ICE skin sensitization |
| 0TTP6YT2T3 | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| 0TTP6YT2T3 | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| 0TTP6YT2T3 | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| 0TTP6YT2T3 | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| 87.58 | uM | IC50 | Dermal | - | NTP ICE skin sensitization |
| 46.62 | ratio | Imax | Dermal | - | NTP ICE skin sensitization |
| - | % | Incidence of positive responses | Dermal | Human | NTP ICE skin sensitization |
| 4.167 | % | Incidence of positive responses | Dermal | Human | NTP ICE skin sensitization |
| 4.878 | % | Incidence of positive responses | Dermal | Human | NTP ICE skin sensitization |
| 12 | % | Incidence of positive responses | Dermal | Human | NTP ICE skin sensitization |
| 16 | % | Incidence of positive responses | Dermal | Human | NTP ICE skin sensitization |
| 16.67 | % | Incidence of positive responses | Dermal | Human | NTP ICE skin sensitization |
| 19.23 | % | Incidence of positive responses | Dermal | Human | NTP ICE skin sensitization |
| 22.73 | % | Incidence of positive responses | Dermal | Human | NTP ICE skin sensitization |
| 28 | % | Incidence of positive responses | Dermal | Human | NTP ICE skin sensitization |
| 32 | % | Incidence of positive responses | Dermal | Human | NTP ICE skin sensitization |
| 40 | % | Incidence of positive responses | Dermal | Human | NTP ICE skin sensitization |
| 118 | ug/cm2 | Induction dose per skin area | Dermal | Human | NTP ICE skin sensitization |
| 1296 | ug/cm2 | Induction dose per skin area | Dermal | Human | NTP ICE skin sensitization |
| 1350 | ug/cm2 | Induction dose per skin area | Dermal | Human | NTP ICE skin sensitization |
| 168.75 | ug/cm2 | Induction dose per skin area, 5% incidence of positive responses | Dermal | Human | NTP ICE skin sensitization |
Showing 50 of 69 studies
REACH Registration
Registration status from the ECHA REACH registered substances database.
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ECHA
1 records
| Status | Name | EC Number | Link |
|---|---|---|---|
| Registered | Methyl oct-2-ynoate | 203-836-6 | ECHA overview → |
Australian Status (AICIS)
Australian industrial chemicals inventory status and applicable conditions.
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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
restricted
Max
-
Category
fragrance
Pharmaceutical Data
Same-CAS pharmaceutical records from drug and bioactivity sources.
SOURCE
ChEMBL / DailyMed
CHEMBL3185035
ChEMBL Phase
Not listed
Adverse Events
0
Bioactivity
0
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 is the NOAEL for Methyl 2-octynoate?
Methyl 2-octynoate has 69 NOAEL studies in the database. The lowest reported value is 0 % via Dermal. Source: NTP ICE skin sensitization.
What regulatory lists include Methyl 2-octynoate?
Methyl 2-octynoate appears on 9 regulatory/inventory lists including Europe; Personal care; restricted, Europe; Personal care - deodorant, IFRA Transparency, and 6 more. Source: EPA CPDat.
Is Methyl 2-octynoate used in cosmetics?
Yes, Methyl 2-octynoate is also indexed as a cosmetic ingredient under the name Methyl 2-Octynoate. 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 Methyl 2-octynoate come from?
Safety data is sourced from ECHA CLP Annex VI, EPA ToxValDB, EPA CPDat, AICIS (Australian Industrial Chemicals Introduction Scheme), EPA DSSTox, ECHA REACH, CosIng / Ingredients DB, ChEMBL / DailyMed, cannabis regulatory/lab databases. All data traces to primary regulatory sources and is updated from official government databases.
Is Methyl 2-octynoate used outside industrial chemicals?
Methyl 2-octynoate also appears in cosmetics, pharmaceutical, cannabis databases.