3-Octanol
Also known as Octan-3-ol, 1-Ethylhexanol, Ethylamylcarbinol
Key facts
What buyers check first
- CAS number
- 589-98-0
- Formula
- C8H18O
- Molar mass
- 130.23 g/mol
- EC number
- 209-667-4
- HS code
- 290516
- Category
- Flavor ingredients
What is 3-Octanol?
Plain description, key identifiers and synonyms
Octan-3-ol is a secondary alcohol that is octane substituted by a hydroxy group at position 3. It has a role as a pheromone, a flavouring agent, a plant metabolite and a human metabolite. It is a secondary alcohol and an octanol.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- octan-3-ol
- CAS number
- 589-98-0 CAS number cross-checkedOther or deprecated CAS: 20296-29-1, 22658-92-0
- EC numbers
- 209-667-4, 243-713-4, 249-405-6
- Molecular formula
- C8H18O
- UNII
- 73DZ0U3U1E
- MDL number
- MFCD00004590
- INCI name
- 3-OCTANOL
- InChIKey
- NMRPBPVERJPACX-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
- SMILES (canonical and isomeric)
- CCCCCC(CC)O
Synonyms
- Octan-3-ol
- 1-Ethylhexanol
- Ethylamylcarbinol
- Ethyl-n-amylcarbinol
- Octanol-3
- Ethyl amyl carbinol
- D-n-Octanol
- dl-3-Octanol
- n-Octan-3-ol
- 3-Octanol (natural)
- Ethylhexyl alcohol
- (1)-Octan-3-ol
- 1-ethyl-1-hexanol
- OCTEN-3-OL-
- (+-)-octan-3-ol
- (+-)-3-Octanol
- 3-Octanol, (+-)-
- 3-Octyl Alcohol
- Ethyl pentyl carbinol
- (S)-3-Octanol
- 3-Octanol, 97%
- (+/-)-3-Octanol
- octyl 3-alcohol
- octyl-3-ol
- octan-3(R,S)-ol
Show all 32 synonymsShow fewer synonyms
- 3-Octanol, 99%
- 3 Octanol
- 4-01-00-01756 (Beilstein Handbook Reference)
- 3-Octanol, analytical standard
- 3-Octanol, (+/-)-
- 3-Octanol, >=97%, FCC, FG
- 3-Octanol, natural, >=97%, FCC, FG
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 130.23 g/molcalc.Computed value |
|---|---|
| Exact mass | 130.1358 Dacalc.Computed value |
| LogP (octanol/water) | 2.34calc.Computed value |
| Topological polar surface area | 20.23 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 1calc.Computed value |
| Rotatable bonds | 5calc.Computed value |
| Heavy atoms | 9calc.Computed value |
| Rings | 0calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 1calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H315Causes skin irritation.
- H319Causes serious eye irritation.
Precautionary statements (9)
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P302 + P352If on skin: Wash with plenty of water.
- P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P332 + P317If skin irritation occurs: Get medical help.
- P337 + P317If eye irritation persists: Get medical help.
- P362 + P364Take off contaminated clothing. And wash it before reuse.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aid3-Octanol suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- United States, ManvilleUnclaimed profile3-OctanolGrade, purity and minimum order on requestPrice on request
- Japan, Kobe ManufacturerUnclaimed profile3-OctanolGrade, purity and minimum order on requestPrice on request
- Spain, Madrid ManufacturerUnclaimed profile3-OctanolGrade, purity and minimum order on requestPrice on request
- Switzerland, VouvryUnclaimed profileEthyl Amyl CarbinolGrade, purity and minimum order on requestPrice on request
- Price on request
- ChinaUnclaimed profile3-OctanolGrade, purity and minimum order on requestPrice on request
- ChinaUnclaimed profile3-OctanolGrade, purity and minimum order on requestPrice on request
- China, ShanghaiUnclaimed profile3-OctanolGrade, purity and minimum order on requestPrice on request
- India, MoradabadUnclaimed profile3-OctanolGrade, purity and minimum order on requestPrice on request
- India ManufacturerUnclaimed profile3-OctanolGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
30 suppliers in 6 countries
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3-Octanol price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Cosmetic ingredient, INCI name 3-OCTANOL(perfuming)
Roles
- additive
- animal metabolite
- eukaryotic metabolite
- flavouring agent
- food additive
- food component
- human metabolite
- mammalian metabolite
- metabolite
- molecular messenger
- pheromone
- physiological role
- plant metabolite
- semiochemical
Functional uses
- Flavouring and nutrient
- Fragrance
Cosmetic functions
- Perfuming
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- EU cosmetic ingredient inventory
United States
- TSCA inventory (USA)Status: Active in US commerce
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code 3-Octanol is traded under.
Octanol (octyl alcohol) and isomers thereof
- United States19.7%
- South Korea13.8%
- Indonesia12.5%
* Partner reported figures, a lower bound.
The HS code shown for 3-Octanol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about 3-Octanol, based on the data on this page
What is 3-Octanol?
What is the CAS number of 3-Octanol?
What is the molecular formula and weight of 3-Octanol?
What is 3-Octanol used for?
Is 3-Octanol hazardous?
What is the HS code of 3-Octanol?
Where can I buy 3-Octanol?
Where can I buy 3-Octanol in India?
What is the price of 3-Octanol?
Guides for buyers
Practical guides that help when you source, ship or handle 3-Octanol
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Article, FormulationHow to choose a cosmetic emulsifierA structured way to choose an emulsifier for creams and lotions: emulsion type, HLB and its limits, emulsifier families, formula fit, stability testing and what to ask suppliers.Read
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