Basic information
- CAS
97358-54-8- Standard SMILES
CC/C=C/CCOC(CC)OC- InChIKey
LDUYDLGCMTVIIO-VOTSOKGWSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- 3-Hexene, 1-(1-methoxypropoxy)-, (3E)-
- IUPAC
- (E)-1-(1-methoxypropoxy)hex-3-ene
- English name
- (E)-1-(1-methoxypropoxy)hex-3-ene
- Molecular formula
- C10H20O2
- Molecular weight
- 172.26
Names & synonyms
(E)-1-(1-Methoxypropoxy)hex-3-ene97358-54-83-Hexene, 1-(1-methoxypropoxy)-, (3E)-EINECS 306-628-43-Hexene, 1-(1-methoxypropoxy)-, (E)-DTXSID30888772RefChem:502173DTXCID40910790(3E)-1-(1-Methoxypropoxy)-3-hexene306-628-4SCHEMBL2729697LDUYDLGCMTVIIO-VOTSOKGWSA-N
Show more names
bean hexene(E)-1-(1-Methoxypropoxy)-3-hexeneCIS,TRANS-3-HEXENE-1-(1-METHOXYPROPOXY)
(3E)-1-(1-Methoxypropoxy)hex-3-eneNS00012839
Database identifiers
- CAS
97358-54-8- PubChem CID
- 6366609
- DTXSID
DTXSID30888772- EC Number
- 306-628-4
- Nikkaji
- J382.918I
Properties
Computed structural properties
- XLogP
- 2.8
- 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 ((E)-1-(1-Methoxypropoxy)hex-3-ene) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 197.5 · 197.5±23.0 °C(Predicted)
- Density
- 0.859 · 0.859±0.06 g/cm3(Predicted)
- Odor
- 100 % · at 100.00 %. fresh green dusty weedy cortex green bean tomato leaf
- Odor Type
- green
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.638 · 2.638 (est)
- EPA Substance Registry System
- 3 · 3-Hexene, 1-(1-methoxypropoxy)-, (3E)- (97358-54-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 116 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information3-Hexene, 1-(1-methoxypropoxy)-, (3E)-: ACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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