Home > Compound List > Compound details
28473-21-4 molecular structure
click picture or here to close

nonan-1-ol

ChemBase ID: 2843
Molecular Formular: C9H20O
Molecular Mass: 144.2545
Monoisotopic Mass: 144.15141526
SMILES and InChIs

SMILES:
CCCCCCCCCO
Canonical SMILES:
CCCCCCCCCO
InChI:
InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3
InChIKey:
ZWRUINPWMLAQRD-UHFFFAOYSA-N

Cite this record

CBID:2843 http://www.chembase.cn/molecule-2843.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
nonan-1-ol
IUPAC Traditional name
nonan-1-ol
nonanol
Synonyms
Nonan-1-Ol
1-Nonanol
Nonyl alcohol
Alcohol C9
1-Nonanol
Pelargonic alcohol
Nonyl alcohol
n-Nonyl alcohol
n-Nonyl alcohol
Undecanol
1-Undecanol
Undecyl alcohol
1-Hendecanol
Undecanol
1-NONANOL
1-壬醇
壬醇
壬醇
天竺葵醇
1-壬醇
CAS Number
28473-21-4
143-08-8
112-42-5
EC Number
205-583-7
MDL Number
MFCD00002990
Beilstein Number
969213
Merck Index
146679
PubChem SID
24886672
24901330
24848002
46506750
160966290
24886671
PubChem CID
8914
8184
CHEBI ID
35986
CHEMBL
444525
24563
Chemspider ID
8574
DrugBank ID
DB03143
FEMA ID
2789
KEGG ID
C14696
Unique Ingredient Identifier
NGK73Q6XMC
06MJ0P28T3
Wikipedia Title
1-Nonanol
Undecanol
Council of Europe Number
55
Flavis Number
2.007

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 16.843943  H Acceptors
H Donor LogD (pH = 5.5) 3.0281653 
LogD (pH = 7.4) 3.0281653  Log P 3.0281653 
Molar Refractivity 45.1399 cm3 Polarizability 17.937511 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P 3.76  LOG S -2.98 
Solubility (Water) 1.50e-01 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
1 g/L in water expand Show data source
Insoluble in water expand Show data source
Soluble in Ethanol and diethyl ether expand Show data source
Apperance
Colorless liquid expand Show data source
Melting Point
19°C expand Show data source
-6°C expand Show data source
-7°C expand Show data source
-8°C expand Show data source
-8--6 °C(lit.) expand Show data source
Boiling Point
214°C expand Show data source
214-216°C expand Show data source
215 °C(lit.) expand Show data source
243°C expand Show data source
Flash Point
>82 °C expand Show data source
208 °F expand Show data source
208.4 °F expand Show data source
75°C(167°F) expand Show data source
96°C (204.8°F) expand Show data source
98 °C expand Show data source
Density
0.826 g/ml expand Show data source
0.827 expand Show data source
0.827 g/mL at 25 °C(lit.) expand Show data source
0.8298 g/mL expand Show data source
0.83 g/cm3 expand Show data source
Refractive Index
1.4330 expand Show data source
n20/D 1.433(lit.) expand Show data source
n20/D 1.434 expand Show data source
Vapor Pressure
13 mmHg ( 104 °C) expand Show data source
Vapor Density
5 (vs air) expand Show data source
Organoleptic
citrus; rose expand Show data source
RTECS
RB1575000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3082 expand Show data source
UN3082 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
20-36-51/53 expand Show data source
20-51/53 expand Show data source
R:22 expand Show data source
Safety Statements
23-24/25-61 expand Show data source
26-36/37-61 expand Show data source
26-61 expand Show data source
R expand Show data source
S:36/37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
LD50
3560 mg/kg (oral, rat)
4680 mg/kg (dermal, rabbit)
expand Show data source
GHS Hazard statements
H319-H331 expand Show data source
H332-H319-H227-H401-H411 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338-P311 expand Show data source
P280F-P273-P305+P351+P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3082 9/PG 3 expand Show data source
Regulation Compliance
FCC expand Show data source
FDA 21 CFR (172.515) expand Show data source
Allergens
no known allergens expand Show data source
Purity
~98% expand Show data source
≥98% expand Show data source
≥98.0% (GC) expand Show data source
≥99.5% (GC) expand Show data source
98% expand Show data source
99% expand Show data source
Grade
Halal expand Show data source
Kosher expand Show data source
puriss. expand Show data source
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3(CH2)8OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05216403 external link
MP Biomedicals Rare Chemical collection
DrugBank - DB03143 external link
Drug information: experimental
Sigma Aldrich - W278904 external link
Packaging
1 kg in poly bottle
1 sample in glass bottle
8, 20 kg in poly drum
Sigma Aldrich - 131210 external link
Packaging
100, 500 mL in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle