(3Z)-non-3-en-1-ol

• ChemBase ID: 136974
• Molecular Formular: C9H18O
• Molecular Mass: 142.23862
• Monoisotopic Mass: 142.1357652
• SMILES: CCCCC/C=C\CCO
• Canonical SMILES: CCCCC/C=C\CCO
• InChI: InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h6-7,10H,2-5,8-9H2,1H3/b7-6-
• InChIKey: IFTBJDZSLBRRMC-SREVYHEPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3Z)-non-3-en-1-ol
• IUPAC Traditional name: (3Z)-non-3-en-1-ol
• Synonyms: cis-3-Nonen-1-ol; cis-3-Octen-1-ol; 顺式-3-壬烯-1-醇; 顺-3-壬烯-1-醇; 顺式-3-辛烯-1-醇

Database IDs

• CAS Number: 20125-84-2; 10340-23-5
• EC Number: 243-533-6; 233-735-2
• MDL Number: MFCD00014062; MFCD00010314
• PubChem SID: 162231241; 24901718; 24857180
• PubChem CID: 5364631
• FEMA ID: 4412; 3467
• Council of Europe Number: 10296
• Flavis Number: 2.094; 2.234

CALCULATED PROPERTIES

• Acid pKa: 16.79179
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6662436
• LogD (pH = 7.4): 2.6662436
• Log P: 2.6662436
• Molar Refractivity: 46.2565 cm^3
• Polarizability: 17.702093 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 107-109 °C/20 mmHg(lit.); 107-109°C/20mm; 73 °C/0.5 mmHg(lit.)
• Flash Point: 143.6 °F; 188.6 °F; 62 °C; 87 °C; 95°C(203°F)
• Density: 0.843 g/mL at 25 °C(lit.); 0.847; 0.849 g/mL at 25 °C(lit.)
• Refractive Index: 1.4500; n20/D 1.447(lit.); n20/D 1.45(lit.)
• Organoleptic: melon; vegetable; green; earthy

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36
• Safety Statements: 26
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H227; H319
• GHS Precautionary statements: P210-P280-P370+P378A-P403+P235-P501A; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Storage Temperature: 2-8°C

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥95%; 95%; 97%
• Grade: NI
• Contains: 0.10% alpha-totcopherol, synthetic as antioxidant
• Linear Formula: CH3(CH2)4CH=CHCH2CH2OH
• Empirical Formula (Hill Notation): C8H16O

DETAILS

Sigma Aldrich - 284823

Packaging
5 g in glass bottle

Sigma Aldrich - W441200

Packaging
1 kg in poly bottle
1 sample in glass bottle
100 g in poly bottle