CAS 64275-73-6 5-Octen-1-ol, (5Z)- (HCID 5352837)|Huagongshe
Basic information Overview Names & identifiers Properties Safety & regulation Chemistry & industry Related reactions Compound notes
Basic information Standard SMILES CC/C=C\CCCCOInChIKey VDHRTASWKDTLER-ARJAWSKDSA-N
Molecular formula C8H16O
Average molar mass 128.21 g/mol
Monoisotopic mass 128.12011513
Overview (Z)-5-Octen-1-ol is an aliphatic alcohol.
Names & identifiers
Preferred name 5-Octen-1-ol, (5Z)-
IUPAC (Z)-oct-5-en-1-ol
English name CIS-5-OCTEN-1-OL
Molecular formula C8H16O
Molecular weight 128.21 Names & synonyms cis-5-Octen-1-ol (Z)-Oct-5-en-1-ol (Z)-5-Octen-1-ol 5-Octen-1-ol, (5Z)- (5Z)-oct-5-en-1-ol 5-Octen-1-ol, (Z)- FEMA No. 3722 5-Octen-1-ol, cis- (Z)-5-Octenol DTXSID9047700 EINECS 264-764-9 JR85B4MH49
Show more names FEMA 3722 5-OCTENOL-1 cis-5-Octenol (z)-5-octen-1-o
DTXCID0027698 CIS-5-OCTEN-1-OL [FHFI] RefChem:537484 64275-73-6 (5Z)-5-Octen-1-ol (5Z)-Octen-1-ol UNII-JR85B4MH49 MFCD00015569
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Database identifiers
PubChem CID 5352837
DTXSID DTXSID9047700
ChEMBL CHEMBL3184730
ChEBI CHEBI:168644
UNII JR85B4MH49
EC Number 264-764-9
Nikkaji J131.577C
Properties Computed structural properties
XLogP 2
Topological polar surface area 20.2 Ų
Hydrogen bond donors 1
Hydrogen bond acceptors 1
Rotatable bonds 5
Heavy atoms 9
Formal charge 0
Complexity 67 Show all 8 Show all 8 / 8 Experimental & physicochemical properties Lipids Fatty Acyls [FA] -> Fatty alcohols [FA05]
Fragrances Fragrance Ingredient (cis-5-Octen-1-ol) -> IFRA transparency List
Food Additives FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density 0.840-0.860 (20 °C)
Solubility (in ethanol)
Boiling Point · 2 items 95.00 °C. @ 25.00 mm Hg
95 °C (25 mm Hg)
Refractive Index 1.445-1.451
Physical Description · 2 items Show all 8 Show all 8 / 8 Physicochemical properties
Boiling point 95 °C25 · 95 °C25 mm Hg(lit.)
Safety & regulation GHS classification GHS Classification · 5 items This chemical does not meet GHS hazard criteria for 85.8% (235 of 274) of all reports.
Danger
H315 (14.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 274 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information Regulatory Information · 2 items Chemical: 5-Octen-1-ol, (Z)-
5-Octen-1-ol, (5Z)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories Skin Irrit. 2 (14.2%)
Safety data
PPE Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk 3
tsca TSCA listed
hs_code 2905.16.0050
risk_code 38-41
Signal word Danger
Symbol(GHS) GHS05
hazard_code Xi
safety_code 26-39
Storage Class 10 - Combustible liquids
Hazard statements H315-H318
Hazard Classifications Eye Dam. 1Skin Irrit. 2
Precautionary statements P264-P280-P302+P352-P305+P351+P338-P332+P313-P362+P364
Chemistry & industry Pharmacology Cellular Locations Extracellular
Uses & manufacturing Use Classification · 3 items Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information 5-Octen-1-ol, (5Z)-: ACTIVE
Applications · 3 items Description cis-5-Octen-l-ol has a green, fatty odor.
Occurrence Reported found in passion fruit, fresh apple and banana.
General Description cis-5-Octen-1-ol has been identified as one of the volatile aroma components of apples. It may also be a potent attractant to fruit fly.
Related reactions 2 records
All As reactant As product As reagent As catalyst As solvent
Density
0.849 g/mL · 0.849 g/mL at 25 °C(lit.)
refractive index 20 · n20/D 1.448(lit.)
FEMA 3722 · 3722 | CIS-5-OCTEN-1-OL
FLAVIS Number 2.113 · 02.113 | Oct-5(cis)-en-1-ol
Flash point 191 °F · 191 °F
storage temp. 2 · Storage temp. 2-8°C
pka 15.17 · 15.17±0.10(Predicted)
color Colorless to Light yellow
Odor 1 % · at 1.00 % in dipropylene glycol. green melon watery watermelon earthy mushroom violet leaf fishy soapy
biological source synthetic
Major Application flavors and fragrances
InChI 1S/C8H16O/c1-2-3-4-5-6-7-8-9/h3-4,9H,2,5-8H2,1H3/b4-3-
InChIKey VDHRTASWKDTLER-ARJAWSKDSA-N
SMILES [H]\C(CC)=C(/[H])CCCCO
CAS DataBase Reference 64275 · 64275-73-6(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) -5 · CIS-5-OCTEN-1-OL
FDA UNII 85 B4MH49 · JR85B4MH49
EPA Substance Registry System 5 · 5-Octen-1-ol, (5Z)- (64275-73-6)
UNSPSC Code 12164502 · 12164502
Hazard statements 315 · H315-H318
Precautionary statements 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P362+P364
PPE Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Risk Statements 38 · 38-41
Safety Statements 26 · 26-39
HS Code 2905.16 · 2905.16.0050
Storage Class 10 · 10 - Combustible liquids
Hazard Classifications 1 Skin · Eye Dam. 1Skin Irrit. 2 Show all 40 Show all 40 / 40
Show all 13 Show all 13 / 13
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Additional notes Definition ChEBI: (Z)-5-Octen-1-ol is an aliphatic alcohol.