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About This Item
Empirical Formula (Hill Notation):
C10H18O
CAS Number:
Molecular Weight:
154.25
UNSPSC Code:
12352104
EC Index Number:
233-986-8
NACRES:
NA.22
MDL number:
Assay:
≥98.0% (GC)
Form:
crystals
Quality Level
assay
≥98.0% (GC)
form
crystals
potency
4300 mg/kg LD50, oral (Rat), >5000 mg/kg LD50, skin (Rat)
bp
215-217 °C/1013 hPa
mp
36 °C
transition temp
flash point 90 °C
density
0.935 g/cm3 at 20 °C
storage temp.
2-30°C
SMILES string
OC([C@H]1CCC(=CC1)C)(C)C
InChI
1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1
InChI key
WUOACPNHFRMFPN-SECBINFHSA-N
Analysis Note
Assay (GC, area%): ≥ 98.0 % (a/a)
Optical rotation α 20/D (c=20 in Ethanol): -102.5 - -97.5 °
Identity (IR): passes test
Due to its specific melting range the product may be solid, liquid, a solidified melt or a supercooled melt.
Optical rotation α 20/D (c=20 in Ethanol): -102.5 - -97.5 °
Identity (IR): passes test
Due to its specific melting range the product may be solid, liquid, a solidified melt or a supercooled melt.
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Skin Irrit. 2
Storage Class
10 - Combustible liquids
wgk
WGK 2
flash_point_f
204.8 °F - closed cup
flash_point_c
96 °C - closed cup
Certificates of Analysis (COA)
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Eduardo Coelho et al.
Molecules (Basel, Switzerland), 25(3) (2020-02-07)
Knowledge of composition of beverages volatile fraction is essential for understanding their sensory attributes. Analysis of volatile compounds predominantly resorts to gas chromatography coupled with mass spectrometry (GC-MS). Often a previous concentration step is required to quantify compounds found at
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 8210781000 | 04022536473420 |
| 8210780250 | 04022536473413 |
| 8210780005 | 04022536473406 |
