Basic information
- CAS
1000-30-2- Standard SMILES
CC(C)=CCC(C)(C)C=O- InChIKey
TVJYZLLDEHOCJE-UHFFFAOYSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
- Monoisotopic mass
- 140.12011513
Names & identifiers
- Preferred name
- 2,2,5-Trimethylhex-4-enal
- IUPAC
- 2,2,5-trimethylhex-4-enal
- English name
- 2,2,5-trimethylhex-4-enal
- Molecular formula
- C9H16O
- Molecular weight
- 140.22
Names & synonyms
2,2,5-Trimethylhex-4-enal1000-30-24-Hexenal, 2,2,5-trimethyl-2,2,5-trimethyl-4-hexenalEINECS 213-670-6DTXSID20142850RefChem:440755DTXCID6065341213-670-64-Hexenal,2,2,5-trimethyl-2,2,5-trimethyl-hex-4-enalSCHEMBL1114592
Show more names
2,2,5-trimethylhex-4-enal USP/EP/BP
SCHEMBL1114594TVJYZLLDEHOCJE-UHFFFAOYSA-N2,2,5-trimethyl-4-hexen-1-alAKOS022633932DB-283616NS00022931EN300-368105F2147-6390
Database identifiers
- CAS
1000-30-2- PubChem CID
- 70467
- DTXSID
DTXSID20142850- EC Number
- 213-670-6
- Nikkaji
- J217.099J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 139
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 65 · 65-66 °C(Press: 20 Torr)
- Density
- 0.835 · 0.835±0.06 g/cm3(Predicted)
- InChI
- InChI=1S/C9H16O/c1-8(2)5-6-9(3,4)7-10/h5,7H,6H2,1-4H3
- InChIKey
- TVJYZLLDEHOCJE-UHFFFAOYSA-N
- SMILES
- C(=O)C(C)(C)C/C=C(/C)\C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 4-Hexenal, 2,2,5-trimethyl-
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers27 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖北科麦迪化工有限公司18372743325 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
北京东华力拓科技发展有限公司010-88425576 · [email protected]
北京大田丰拓化学技术有限公司13651141086 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
浙江博华环境技术工程有限公司13736605360
石家庄通洋进出口有限公司[email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
武汉鑫儒化工有限公司15927387915 15337108568 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…