Basic information
- CAS
28069-74-1- Standard SMILES
CC/C=C\CCOC(C)OCC- InChIKey
PAEBAEDUARAOSG-SREVYHEPSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- Acetaldehyde ethyl (Z)-3-hexenyl acetal
- IUPAC
- (Z)-1-(1-ethoxyethoxy)hex-3-ene
- English name
- Acetaldehyde ethyl cis-3-hexenyl acetal
- Molecular formula
- C10H20O2
- Molecular weight
- 172.26
Names & synonyms
Acetaldehyde ethyl cis-3-hexenyl acetal28069-74-1Leaf acetal(Z)-1-(1-Ethoxyethoxy)hex-3-eneLeaf alcohol (ethyl) acetalFEMA No. 3775DTXSID4047418Acetaldehyde ethyl (Z)-3-hexenyl acetalcis-3-Hexenyl ethyl acetalEthyl cis-3-hexenyl acetal acetaldehyde3-Hexene, 1-(1-ethoxyethoxy)-, (Z)-3-Hexene, 1-(1-ethoxyethoxy)-, (3Z)-
Show more names
FEMA 3775(Z)-leaf acetalLEAF ALCOHOL ACETALCIS-3-HEXENAL ACETAL(Z)-3-HexeneAcetaldehydecis-3-hexenylethylacetalethylcis-3-hexenylacetal
B565J772LBAcetaldehyde, ethyl 3-hexenyl acetal, (Z)-Ethane, 1-ethoxy-1-(3-hexenyloxy)-, (Z)-EINECS 248-817-33,5-Dioxa-4-methyl-8-cis-undecene(Z)-1-Ethoxy-1-(3-hexenyloxy)ethane1-(1-Ethoxyethoxy)-3-hexene, (Z)-Acetaldehyde, ethyl cis-3-hexenyl acetal
Database identifiers
- CAS
28069-74-1- PubChem CID
- 5366352
- DTXSID
DTXSID4047418- ChEMBL
CHEMBL3185276- UNII
- B565J772LB
- EC Number
- 248-817-3
- Nikkaji
- J60.728B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Acetaldehyde ethyl cis-3-hexenyl acetal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.846-0.856
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point85 °C (7 mm Hg)
Refractive Index1.430-1.435
Physical Descriptioncolourless mobile liquid with a powerful, green, herbaceous odour
Physicochemical properties
- Boiling point
- 198 ℃ · 198℃
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 71.2% (158 of 222) of all reports.
Warning
H226 (28.8%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 222 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 3-Hexene, 1-(1-ethoxyethoxy)-, (Z)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
3-Hexene, 1-(1-ethoxyethoxy)-, (3Z)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 3-Hexene, 1-(1-ethoxyethoxy)-, (Z)-: Environment tier I assessment
Hazard Classes and CategoriesFlam. Liq. 3 (28.8%)
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- MP6795000
- ridadr
- UN 1993C 3 / PGIII
- hs_code
- 2912.19.5000
- Toxicity
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Levenstein, 1974).
- risk_code
- 36/37/38
- Signal word
- Warning
Chemistry & industry
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information3-Hexene, 1-(1-ethoxyethoxy)-, (3Z)-: ACTIVE
Applications
DescriptionA colorless liquid with a powerful, green, herbaceous odor.
OccurrenceReported found in guava fruit (Psidium guajava L.) and plum
Preparation methods
PreparationFrom acetaldehyde diethyl acetal (acetal) with cis-3-hexenol
Suppliers53 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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