Basic information
- CAS
84-19-5- Standard SMILES
CC=C(C(=CC)c1ccc(OC(C)=O)cc1)c1ccc(OC(C)=O)cc1- InChIKey
YWLLGDVBTLPARJ-UHFFFAOYSA-N- Molecular formula
- C22H22O4
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.15180918
Overview
See also: Dienestrol diacetate (annotation moved to).
Names & identifiers
- Preferred name
- 4-{4-[4-(Acetyloxy)phenyl]hexa-2,4-dien-3-yl}phenyl acetate
- IUPAC
- [4-[4-(4-acetyloxyphenyl)hexa-2,4-dien-3-yl]phenyl] acetate
- English name
- Dienestrol diacetate
- Molecular formula
- C22H22O4
- Molecular weight
- 350.41
Names & synonyms
84-19-54-{4-[4-(acetyloxy)phenyl]hexa-2,4-dien-3-yl}phenyl acetateorb1705433Phenol,4,4'-(1,2-diethylidene-1,2-ethanediyl)bis-, diacetate (9CI)AKOS024319054DB-252050(Hexa-2,4-diene-3,4-diyl)di(4,1-phenylene) diacetate[4-[2-(4-acetoxyphenyl)-1-ethylidene-but-2-enyl]phenyl] acetate4-{2-[4-(acetyloxy)phenyl]-1-ethylidene-2-butenyl}phenyl acetatePhenol, 4,4 inverted exclamation marka-(1,2-diethylidene-1,2-ethanediyl)bis-, 1,1 inverted exclamation marka-diacetateNsc81279lipamone
Show more names
FARMACYROLOestrasid Cretalon-oraldienoestroldiacetateDienestrol diacetatedienesterol diacetateC12598020 DienestroLdiacetateDIENESTEROL DIACETATE VETRANAL
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 494
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 122 °C · 122°C
- Boiling point
- 404.4 °C · 404.4°C (rough estimate)
- Density
- 1.1087 · 1.1087 (rough estimate)
- refractive index
- 1.44 · 1.4400 (estimate)
- Flash point
- 2 °C · 2 °C
- form
- powder to crystal
- color
- White to Light yellow
- Merck
- 14 · 14,3104
- CAS DataBase Reference
- 84 · 84-19-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 20 D148WPQ · D20D148WPQ
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesCarc. 2 (100%)
Safety data
- rtecs
- SL0590000
- ridadr
- UN 2811 6.1/PG 2
- hs_code
- 2909.30.6000
- risk_code
- 36/37/38-48-40-36-20/21/22-11
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- hazard_code
- Xn,F
- safety_code
- 26-36/37/39-24/25-22-36/37-16
- Hazard statements
- H351
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Applications
UsesDienestrol diacetate is a synthetic nonsteroidal phenolic compound with estrogenic activity. Dienestrol diacetate can mimic the effects of estrogen in vivo, affecting the reproductive system and other related biological processes. Dienestrol diacetate is being studied for the inhibition of hormone-related diseases, such as estrogen deficiency. Dienestrol diacetate's potential applications also include possible use in hormone replacement therapy[1].
Suppliers29 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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