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About This Item
Empirical Formula (Hill Notation):
C12H22O3
CAS Number:
Molecular Weight:
214.30
UNSPSC Code:
12352112
NACRES:
NA.22
PubChem Substance ID:
EC Number:
254-857-2
Beilstein/REAXYS Number:
2444474
MDL number:
Assay:
98%
Form:
liquid
assay
98%
form
liquid
optical activity
[α]25/D −92.5°, c = 4 in methanol
optical purity
ee: 97% (GLC)
refractive index
n20/D 1.4672 (lit.)
bp
163-164 °C/10 mmHg (lit.)
mp
52-55 °C (lit.)
density
1.01 g/mL at 20 °C (lit.)
SMILES string
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(O)=O
InChI
1S/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)/t9-,10+,11-/m1/s1
InChI key
CILPHQCEVYJUDN-OUAUKWLOSA-N
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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Global Trade Item Number
| SKU | GTIN |
|---|---|
| M3000-1G-A | 04061825938172 |
