Is Methyl 2-Octynoate safe in cosmetics?
Methyl 2-Octynoate has a safety rating of "GOOD" in our database. EU status: restricted. US status: permitted.
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)
INCI: METHYL 2-OCTYNOATE
Methyl 2-Octynoate (CAS 111-12-6) is a cosmetic fragrance functioning as Fragrance. EU Regulation 1223/2009 status: restricted. Industrial safety data is also available in the chemical safety database. Same-CAS public records also appear in industrial chemical safety and pharmaceutical data.
View industrial chemical safety profile for CAS 111-12-6 →
Auto-generated CPSR Part A draft with source citations
Chemistry & Identifiers
EC Number
203-836-6
Regulatory Status
EU EU Status
restricted
US US Status
permitted
For full compliance data across multiple jurisdictions, use the Substance Compliance tool.
Safety Data
Margin of Safety, dermal absorption, and sensitization profile summaries for Methyl 2-Octynoate.
Calculate MoS for your specific formulation with the MoS Calculator.
Sensitization Profile
Contact sensitization data for Methyl 2-Octynoate based on clinical patch test studies and IFRA standards.
Sensitization Rate
low
Allergen Class
fragrance
EU Allergen Listed
yes
Patch Test Positive Rate
0.2%
Cross-reactivity Group
none
Reaction Type
contact-dermatitis
IFRA Restricted
— max 0.2% in finished products
Source: ESSCA/IVDK
EU CLP Annex VI Harmonized Classification
Legally binding harmonized classification per Regulation (EC) No 1272/2008 (CLP) Annex VI.
Signal Word
Warning
Pictograms
Harmful / Irritant
Hazard Class and Category
Skin Sens. 1A
Hazard Statements
- H317 May cause an allergic skin reaction
Inserted via ATP: ATP23
Sensitization AOP Dashboard
Adverse Outcome Pathway data across 5 assays (DPRA, KeratinoSens, hCLAT, LLNA, NESIL) aggregated from public sources.
DPRA Cys %
97.2%
DPRA Lys %
0%
KeratinoSens IC50
87.58 µM
hCLAT CV75
375.8 µg/mL
LLNA EC3
0.5%
NESIL
118 µg/cm²
LLNA: Strong (1A)
GHS: 1A
Human: positive
Source: LLNA: Kern et al. (2010); DPRA: Urbisch et al. 2015 [DOI:10.1016/j.yrtph.2014.12.008]; KS: Natsch et al. 2013 [DOI:10.1002/jat.2868]; hCLAT: Urbisch et al. 2015 [DOI:10.1016/j.yrtph.2014.12.008]; HPPT: [189] Kligman AM (1972): Report to RIFM, 14 March, unpublished.
HRIPT Human Patch Test Studies
5 human repeat insult patch tests aggregated from dermatological literature.
| Test Type | N | Sensitized | Dose µg/cm² | NESIL µg/cm² | Potency |
|---|---|---|---|---|---|
| HRIPT | - | 0 | 118 | 118 | strong |
| HMT | - | 0 | 1296 | - | - |
| HMT | - | 0 | 1296 | - | - |
| HMT | - | 0 | 1296 | - | - |
| HMT | - | 0 | 1350 | - | - |
ECHA REACH Registration
European Chemicals Agency REACH dossier and Substances of Very High Concern listing.
Registration Type
Full
Tonnage Band
10 - 100 tonnes
Substance Type
SUBSTANCE
SVHC Candidate
No
Hazard classification: Restricted (Annex XVII)
Expanded Jurisdictional Detail
Additional regulatory detail beyond the 7-jurisdiction summary: Saudi SFDA, Korea MFDS, ASEAN ACD, Japan/Korea, Brazil/India, and cross-jurisdictional restriction entries.
SA Saudi SFDA (III - Restricted)
Product type: (a) Oral products (b) Other products. Max: (b) 0.01% when used alone When present in combination with methyl octine carbonate, the combined level in the finished product shall not exceed 0,01 % (of which methyl octine carbonate shall not be more than 0,002 %).
BRIN Brazil/India Cosmetics
Brazil: Restricted (Fragrance Allergen) · max >0.001% leave-on / >0.01% rinse-off requires labeling
India: Restricted · max (b) 0.01% when used alone When present in combination with methyl octine carbonate, the combined level in the finished product shall not exceed 0,01 % (of which methyl octine carbonate shall not be more than 0,002 %)
Additional Ingredient Properties
3 property records from structured ingredient metadata.
allergen_detail
{"eu_allergen_listed": "yes", "allergen_class": "fragrance", "patch_test_frequency_pct": "0.2", "sensitization_rate": "low", "common_reaction_type": "contact-dermatitis", "ifra_restricted": "yes", "ifra_max_level_pct": "0.2", "source": "ESSCA/IVDK"}
fragrance
{"cas_number": "111-12-6", "ingredient_class": "aroma_chemical", "chemical_class": "ester", "odor_family": "green", "odor_description": "Fresh, green, violet leaf, metallic", "odor_strength": "very_strong", "odor_tenacity_hours": "24.0", "top_note": "yes", "heart_note": "yes", "base_note": "no", "blending_factor_1_10": "9.0", "threshold_of_detection_ppb": "0.05", "molecular_weight_Da": "154.21", "…
regulatory
{"eu_status": "restricted", "us_status": "allowed", "eu_max_concentration": "0.001", "restricted_in": "rinse-off: >0.01%, leave-on: >0.001%", "regulation_reference": "Annex III/205"}
Function Categories & List Membership
Cosmetic/Chemical Function Categories
Deodorizer
Flavouring and nutrient
Fragrance
Regulatory List Membership (4)
IFRA Fragrance Transparency List
FDA Substances Added to Food (EAFUS)
Consumer Product Chemical
EU CosIng Cosmetics Ingredient Database
Expert Verdict
Expert safety assessment and concern-level summary for Methyl 2-Octynoate.
Regulatory Flags
EU Restricted
ifra_fragrance
fda_food_additive
eu_cosing_listed
jecfa_safe
Known Synonyms
Methyl heptine carbonate
2-Octynoic acid, methyl ester
Methyl oct-2-ynoate
4-02-00-01715
BRN 1756887
EINECS 203-836-6
FEMA No. 2729
Folione
Methyl hept-1-yne-1-carboxylate
Methyl 2-octinate
Methyl 2-octynate
Methyl pentylacetylenecarboxylate
NSC 72098
Vert de violette, artificial
UNII-0TTP6YT2T3
Chemical Function
Fragrance
Deodorizer
Flavouring and nutrient
Regulatory Lists
Europe; Personal care; restricted
Europe; Personal care - deodorant
IFRA Transparency
Europe
food_additive; Substances Added to Food (formerly EAFUS) (2/2019)
consumer_product
Cleaning products and household care - laundry and fabric treatment - laundry detergent; Europe
Cleaning products and household care - air freshener; detected; Europe
consumer_product; Europe; nondetect
consumer_product; Europe; nondetect
Europe
Australian Status
AICIS status: listed
Cross-Vertical Safety Context
Same-CAS public records found in pharmaceutical data.
SOURCE
ChEMBL / DrugCentral / FAERS
DB_PHARMA CAS match
Pharmaceutical Data
Same-CAS rows from the pharmaceutical spoke database.
ChEMBL ID
CHEMBL3185035
Frequently Asked Questions
Is Methyl 2-Octynoate allowed in the EU?
Methyl 2-Octynoate EU regulatory status: restricted. This is based on EU Regulation 1223/2009 and its amendments.
What does Methyl 2-Octynoate do in cosmetics?
Methyl 2-Octynoate functions as: Fragrance. It is classified as a Fragrance in our database. CAS number: 111-12-6.
Is Methyl 2-Octynoate used outside cosmetics?
Methyl 2-Octynoate also appears in industrial chemical safety and pharmaceutical data. The cross-vertical cards on this page render same-CAS public rows from the matched databases.
Compliance Tools
Check Methyl 2-Octynoate compliance across multiple jurisdictions:
Ingredient Decoder
Paste a full ingredient list for instant analysis
82 Allergen Checker
Check for EU declarable fragrance allergens
Substance Compliance
Check compliance across multiple jurisdictions
MoS Calculator
Calculate Margin of Safety using SCCS methodology
Heavy Metal Limits
Compare limits across jurisdictions
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