3-Octanol
ALDRICH/W358118 - ≥97%, FCC, FG
Synonym: Ethyl pentyl carbinol
CAS Number: 589-98-0
Empirical Formula (Hill Notation): C8H18O
Molecular Weight: 130.23
EC Number: 209-667-4
MDL Number: MFCD00004590
Linear Formula: CH3(CH2)4CH(OH)CH2CH3
Product Type: Chemical
| agency | meets purity specifications of JECFA |
| application(s) | flavors and fragrances |
| assay | ≥97% |
| biological source | synthetic |
| bp | 174-176 °C (lit.) |
| density | 0.818 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| grade | FG |
| Halal | |
| Kosher | |
| InChI | 1S/C8H18O/c1-3-5-6-7-8(9) |
| InChI key | NMRPBPVERJPACX-UHFFFAOYSA |
| organoleptic | creamy; mushroom; musty; earthy; minty; waxy |
| Quality Level | 400  |
| refractive index | n |
| reg. compliance | EU Regulation 1334/2008 & 178/2002 |
| FCC | |
| FDA 21 CFR 172.515 | |
| SMILES string | CCCCCC(O)CC |
| vapor density | ~4.5 (vs air) |
| vapor pressure | ~1 mmHg ( 20 °C) |
| Application: | • RIFM fragrance ingredient safety assessment, 3-octanol, CAS Registry Number 589-98-0: This safety assessment review offers a thorough examination of 3-Octanol′s application in the fragrance industry, discussing its solvent properties, safety, and handling in laboratory settings, thus serving as a critical reference for researchers focused on industrial applications and safety of fragrance ingredients (Api et al., 2021  ). |
| Biochem/physiol Actions: | Taste at 10 ppm |
| Other Notes: | Natural occurrence: Spearmint oil, oat groats, Ocimum basilicum, pimento leaf and truffle. |
| Packaging: | 1 kg in poly bottle |
| Packaging: | 100 g in glass bottle |
| Packaging: | 8 kg in composite drum |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H319 |
| Precautionary statements | P264 - P280 - P305 + P351 + P338 - P337 + P313 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | WGK 2 |
| Flash Point(F) | 154.4 °F |
| Flash Point(C) | 68 °C |
| Purity | ≥97% |
| bp | 174-176 °C (lit.) |
| Density | 0.818 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 3581 |
| UNSPSC | 12164502 |