(3Z)-Hex-3-en-1-yl cyclopropanecarboxylate
Basic information
- CAS
188570-78-7- Standard SMILES
CC/C=C\CCOC(=O)C1CC1- InChIKey
AQALQDMWXUIMHX-ARJAWSKDSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- (3Z)-Hex-3-en-1-yl cyclopropanecarboxylate
- IUPAC
- [(Z)-hex-3-enyl] cyclopropanecarboxylate
- English name
- Cyclopropanecarboxylicacid,(3Z)-3-hexenylester
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
(3Z)-Hex-3-en-1-yl cyclopropanecarboxylateCyclopropanecarboxylic acid, (3Z)-3-hexenyl esterCyclopropanecarboxylic acid, (3Z)-3-hexen-1-yl esterDTXSID4051825(Z)-Hex-3-en-1-yl cyclopropanecarboxylateRefChem:401751DTXCID9030381425-200-9639-038-3188570-78-7[(Z)-hex-3-enyl] cyclopropanecarboxylateCyclopropanecarboxylicacid,(3Z)-3-hexenylester
Show more names
green cyclopropionateCis-3-Hexenyl Cyclopropyl Formatehex-3-enyl cyclopropanecarboxylate
SCHEMBL17627767AQALQDMWXUIMHX-ARJAWSKDSA-NDB-237081NS00077716
Database identifiers
- CAS
188570-78-7- PubChem CID
- 44152604
- DTXSID
DTXSID4051825- EC Number
- 425-200-9、639-038-3
- Nikkaji
- J2.402.062B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Cyclopropanecarboxylic acid, (3Z)-3-hexenyl ester) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 214.5 ℃[at · 214.5℃[at 101 325 Pa]
- Density
- 0.936 · 0.936[at 20℃]
- vapor pressure
- 6.811 Pa · 6.811Pa at 23℃
- Odor
- 100 % · at 100.00 %. fresh flower shop green natural green tropical fruit
- Odor Type
- green
- Water Solubility
- 200 mg/L · 200mg/L at 20℃
- LogP
- 3.24 at · 3.24 at 21℃
- EPA Substance Registry System
- 3 Z)-3-hexenyl · Cyclopropanecarboxylic acid, (3Z)-3-hexenyl ester (188570-78-7)
- TSCA
- TSCA listed
- REACH Registrations
- Active
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 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Cyclopropanecarboxylic acid, (3Z)-3-hexen-1-yl ester
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: (3Z)-hex-3-en-1-yl cyclopropanecarboxylate (EC: 425-200-9)
Hazard Classes and Categories
Not Classified
Not Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 2 consumer products that contain Cyclopropanecarboxylic acid, (3Z)-3-hexen-1-yl ester in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing InformationCyclopropanecarboxylic acid, (3Z)-3-hexen-1-yl ester: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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