| Identification | Back Directory | [Name]
Estratetraenol | [CAS]
1150-90-9 | [Synonyms]
CoMpound 742
Estratetraenol
16-estratetraen-3-ol
1,3,5(10),16-Estratetren-3-ol
1,3,5(10),16-Estratetraen-3-ol
ESTRA-1,3-5(10),16-TERAEN-3-OL
Estra-1,3,5(10),16-Tetraen-3-Ol
(8S,9S,13R,14S)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol
(8S,9S,13S,14S)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]ph enanthren-3-ol | [Molecular Formula]
C18H22O | [MDL Number]
MFCD00198961 | [MOL File]
1150-90-9.mol | [Molecular Weight]
254.37 |
| Chemical Properties | Back Directory | [Melting point ]
130-131.5 °C | [Boiling point ]
400.2±45.0 °C(Predicted) | [density ]
1.111±0.06 g/cm3(Predicted) | [storage temp. ]
-20°C Freezer | [solubility ]
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
14.03±0.40(Predicted) | [color ]
White to Pale Yellow | [Cosmetics Ingredients Functions]
FRAGRANCE | [InChI]
InChI=1S/C18H22O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h2,5,7,9,11,15-17,19H,3-4,6,8,10H2,1H3/t15-,16-,17+,18+/m1/s1 | [InChIKey]
CRMOMCHYBNOFIV-BDXSIMOUSA-N | [SMILES]
C1(O)=CC2=C(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C=CC3)CC2 | [LogP]
5.720 (est) |
| Hazard Information | Back Directory | [Chemical Properties]
Yellow Solid | [Uses]
A steroid produced by females having pheromone activities. | [Definition]
ChEBI: A 3-hydroxy steroid that is obtained by formal dehydration at the 17-position of estradiol. |
|
|