1,1-Dimethoxynon-2-yne
Basic information
- CAS
13257-44-8- Standard SMILES
CCCCCCC#CC(OC)OC- InChIKey
RPJGIPAAHSGBEZ-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- 1,1-Dimethoxynon-2-yne
- IUPAC
- 1,1-dimethoxynon-2-yne
- English name
- PARMAVERT
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
1,1-Dimethoxynon-2-yneParmavert2-Nonynal dimethylacetal2-Nonyne, 1,1-dimethoxy-2-Nonyn-1-al dimethylacetalEINECS 236-249-92-Nonyl-1-al dimethyl acetal2-NONYNAL, DIMETHYL ACETALBRN 4372599AI3-36004DTXSID3051670RefChem:71092
Show more names
1,1-dimethoxy-2-nonyn1,1-Dimethoxynon-2-in1,1-dimethoxy-2-Nonyne2-Nonyn-1-aldimethylacetalPARMAVERT (NONYN-1-AL,2 DIMETHYLACETAL)
DTXCID7030224236-249-913257-44-82-nonynal dimethyl acetalMFCD000365542-Nonyn-1-al dimethyl acetalSCHEMBL756594RPJGIPAAHSGBEZ-UHFFFAOYSA-N
Database identifiers
- CAS
13257-44-8- PubChem CID
- 25812
- DTXSID
DTXSID3051670- EC Number
- 236-249-9
- Nikkaji
- J59.359A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
Fragrances
Fragrance substance (2-Nonyn-1-al dimethyl acetal) -> IFRA amendment 49
Fragrance Ingredient (2-Nonyn-1-al dimethylacetal) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 258.24 °C · 258.24°C (rough estimate)
- Density
- 0.9574 · 0.9574 (rough estimate)
- refractive index
- 1.47 · 1.4700 (estimate)
- Odor
- 10 % · at 10.00 % in dipropylene glycol. fresh green violet foliage sweet
- Odor Type
- green
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.094 · 3.094 (est)
- EPA Substance Registry System
- 2 · 2-Nonyne, 1,1-dimethoxy- (13257-44-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1551 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2-Nonyne, 1,1-dimethoxy-
2-Nonyne, 1,1-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Nonyne, 1,1-dimethoxy-: Environment tier I assessment
Hazard Classes and CategoriesSkin Sens. 1B (100%)
Safety data
- tsca
- TSCA listed
- Toxicity
- LD50 orl-rat: >5 g/kg FCTOD7 20,779,82
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
IFRA Fragrance Standards
2-Nonyn-1-al dimethyl acetal
1,1-Dimethoxynon-2-yne; 2-Nonyn-1-al-Dimeth-Acetyl; 2-Nonyne, 1,1-dimethoxy-; Parmavert (commercial name)
IFRA_STD_066.pdf
49
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Use ClassificationFragrance Ingredients
General Manufacturing Information2-Nonyne, 1,1-dimethoxy-: ACTIVE
Restriction Limits in the Finished Product (%)
1.8 [Products applied to the lips]
0.53 [Products applied to the axillae]
11 [Products applied to the face/body using fingertips]
9.9 [Products related to fine fragrances]
2.5 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
2.5 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…