Basic information
- CAS
15373-31-6- Standard SMILES
CC1=CCC(CC#N)C1(C)C- InChIKey
YYJOTFQPYNOYAB-UHFFFAOYSA-N- Molecular formula
- C10H15N
- Average molar mass
- 149.23 g/mol
- Monoisotopic mass
- 149.12044948
Overview
(2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrile is a nitrile that is acetonitrile in which one of the hydrogens has been replaced by a 2,2,3-trimethylcyclopent-3-en-1-yl group. A powerful fragrance compound with pine, rosemary and hay-like tonalities. It has a role as a fragrance. It is a volatile organic compound and a nitrile. It derives from a hydride of a cyclopentene.
Names & identifiers
- Preferred name
- 3-Cyclopentene-1-acetonitrile, 2,2,3-trimethyl-
- IUPAC
- 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrile
- English name
- 2-(2,2,3-Trimethyl-1-cyclopent-3-enyl)acetonitrile
- Molecular formula
- C10H15N
- Molecular weight
- 149.23
Names & synonyms
15373-31-63-Cyclopentene-1-acetonitrile, 2,2,3-trimethyl-2,2,3-Trimethylcyclopent-3-enylacetonitrileEINECS 239-405-4DTXSID608645892,2,3-trimethyl-3-cyclopentene-1-acetonitrile3-Cyclopentnen-1-acetonitrile, 2,2,3-trimethyl-NSC 122686RefChem:500839DTXCID30813089239-405-4Cantryl
Show more names
trimethyl-3-cyclopentenyl acetonitrile2,2,3-Trimethylcyclopent-3-enylacetonitril
2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrile2-(2,2,3-TRIMETHYL-1-CYCLOPENT-3-ENYL)ACETONITRILE3-Cyclopentene-1-acetonitrile,2,2,3-trimethyl-NSC-122686(2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrileNSC122686DE97J89DCW4-cyanomethyl-5,5-dimethyl-1-methylcyclopent-1-ene
Database identifiers
- CAS
15373-31-6- PubChem CID
- 85833
- DTXSID
DTXSID60864589- ChEBI
CHEBI:142078- UNII
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2,2,3-Trimethylcyclopent-3-enylacetonitrile) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 226 ℃[at · 226℃[at 101 325 Pa]
- Density
- 0.91 · 0.91[at 20℃]
- vapor pressure
- 66 Pa · 66Pa at 20℃
- Odor
- 10 % · at 10.00 % in dipropylene glycol. pine rosemary hay
- Odor Type
- pine
- Water Solubility
- 336 mg/L · 336mg/L at 20℃
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.96 at · 2.96 at 23.6℃
- EPA Substance Registry System
- 3 · 3-Cyclopentene-1-acetonitrile, 2,2,3-trimethyl- (15373-31-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
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
This chemical does not meet GHS hazard criteria for 89.5% (102 of 114) of all reports.
Warning
H315 (10.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 114 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 3-Cyclopentene-1-acetonitrile, 2,2,3-trimethyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 2,2,3-trimethylcyclopent-3-enylacetonitrile (EC: 239-405-4)
3-Cyclopentene-1-acetonitrile, 2,2,3-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 3-Cyclopentene-1-acetonitrile, 2,2,3-trimethyl-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (10.5%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H412-H315
- REACH Registrations
- Active
- Precautionary statements
- P273-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information3-Cyclopentene-1-acetonitrile, 2,2,3-trimethyl-: ACTIVE
Suppliers7 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
陕西晶和医药科技有限公司029-86062279 13324594253 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
重庆卡兰医药有限公司[email protected]
Additional notes
DefinitionChEBI: (2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrile is a nitrile that is acetonitrile in which one of the hydrogens has been replaced by a 2,2,3-trimethylcyclopent-3-en-1-yl group. A powerful fragrance compound with pine, rosemary and hay-like tonalities. It has a role as a fragrance. It is a nitrile and a volatile organic compound. It derives from a hydride of a cyclopentene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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