3,5,5-Trimethylhexanal
ALDRICH/W352403 - ≥95%, FG
Synonym: Green hexanal
CAS Number: 5435-64-3
Empirical Formula (Hill Notation): C9H18O
Molecular Weight: 142.24
EC Number: 226-603-0
MDL Number: MFCD00010441
Linear Formula: (CH3)3CCH2CH(CH3)CH2CHO
Product Type: Chemical
agency | follows IFRA guidelines |
application(s) | flavors and fragrances |
assay | ≥95% |
biological source | synthetic |
bp | 67-68 °C/2.5 mmHg (lit.) |
density | 0.817 g/mL at 25 °C (lit.) |
documentation | see Safety & Documentation for available documents |
food allergen | no known allergens |
fragrance allergen | no known allergens |
grade | FG |
Fragrance grade | |
Halal | |
Kosher | |
InChI | 1S/C9H18O/c1-8(5-6-10)7-9 |
InChI key | WTPYRCJDOZVZON-UHFFFAOYSA |
organoleptic | earthy |
Quality Level | 400 |
refractive index | n |
reg. compliance | EU Regulation 1223/2009 |
EU Regulation 1334/2008 & 178/2002 | |
SMILES string | CC(CC=O)CC(C)(C)C |
Application: |
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General description: | 3,5,5-Trimethylhexanal is an aliphatic aldehyde mainly used as an internal standard to quantify the volatile aldehydes in the root tissues of plants. |
Packaging: | 1 kg in glass bottle |
Packaging: | 100 g in glass bottle |
Packaging: | 4 kg in steel drum |
Symbol | GHS02,GHS07 |
Signal word | Warning |
Hazard statements | H226 - H315 - H317 - H412 |
Precautionary statements | P210 - P273 - P280 - P302 + P352 |
Hazard Codes | Xn |
Risk Statements | 10-36/38-43-52/53-65 |
Safety Statements | 26-36/37-62 |
RIDADR | UN 1989C 3 / PGIII |
WGK Germany | WGK 1 |
Flash Point(F) | 93.2 °F - closed cup |
Flash Point(C) | 34 °C - closed cup |
Purity | ≥95% |
bp | 67-68 °C/2.5 mmHg (lit.) |
Density | 0.817 g/mL at 25 °C (lit.) |
Refractive Index | n |
FEMA Number | 3524 |
UNSPSC | 12164502 |