KEGG   COMPOUND: C14271Help
Entry
C14271                      Compound                               

Name
Ethohexadiol;
2-Ethyl-1,3-hexanediol
Formula
C8H18O2
Exact mass
146.1307
Mol weight
146.2273
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
ATC code: 
Brite
Pesticides [BR:br08007]
 Obsolete pesticides
  Others
   Insect repellents
    C14271  Ethohexadiol
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P03 ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
   P03B INSECTICIDES AND REPELLENTS
    P03BX Other insecticides and repellents
     P03BX06 Etohexadiol
      C14271  2-Ethyl-1,3-hexanediol
BRITE hierarchy
Other DBs
CAS: 
94-96-2
PubChem: 
NIKKAJI: 
KCF data Show

ATOM        10
            1   C1a C    24.7041  -17.9815
            2   C1b C    25.9158  -18.6811
            3   C1b C    27.1276  -17.9815
            4   C1c C    28.3394  -18.6811
            5   C1c C    29.5511  -17.9815
            6   C1b C    30.7629  -18.6811
            7   C1a C    31.9954  -17.9693
            8   C1b C    29.5511  -16.5824
            9   O1a O    30.7481  -15.8913
            10  O1a O    28.3394  -20.0804
BOND        9
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     5   8 1
            8     8   9 1
            9     4  10 1

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