Home > Compound List > Compound details
15356-62-4 molecular structure
click picture or here to close

2-{[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetyl chloride

ChemBase ID: 149631
Molecular Formular: C12H21ClO2
Molecular Mass: 232.74694
Monoisotopic Mass: 232.12300759
SMILES and InChIs

SMILES:
C[C@@H]1CC[C@H]([C@@H](C1)OCC(=O)Cl)C(C)C
Canonical SMILES:
C[C@@H]1CC[C@H]([C@@H](C1)OCC(=O)Cl)C(C)C
InChI:
InChI=1S/C12H21ClO2/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3/t9-,10+,11-/m1/s1
InChIKey:
VNMCKLVHDJADEB-OUAUKWLOSA-N

Cite this record

CBID:149631 http://www.chembase.cn/molecule-149631.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetyl chloride
IUPAC Traditional name
2-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}acetyl chloride
Synonyms
(-)-Menthoxyacetyl chloride
(-)-薄荷氧基乙酰氯
CAS Number
15356-62-4
MDL Number
MFCD00044947
PubChem SID
24868846
162243794
PubChem CID
11009846

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
453714 external link Add to cart Please log in.
Data Source Data ID
PubChem 11009846 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3187127  LogD (pH = 7.4) 3.3187127 
Log P 3.3187127  Molar Refractivity 62.1396 cm3
Polarizability 24.73854 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.033 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.469(lit.) expand Show data source
Optical Rotation
[α]25/D -10°, neat expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3265 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3265 8/PG 3 expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C12H21ClO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 453714 external link
Packaging
5 g 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