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4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one

UUID 418434e3-bfb2-457d-b407-4e97c9775760
Deprecated yes
Replaced By d58b9bad-c315-4088-aa1a-f4186e9dd577
Flow Object IDfo-035c333a44429a6f
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 14901-07-6
EC Numbers 238-969-9
prefLabel
Language Value Provenance
en 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one
altLabel ⓘ
Language Value Provenance
en 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
en 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
en 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one
en NSC 402758
en NSC 46137
References
Shared Properties
Predicate Value
InChIKey PSQYTAPXSHCGMF-BQYQJAHWSA-N, PSQYTAPXSHCGMF-UHFFFAOYSA-N, SNQUZWOWPZQUQF-ONYUMSKCSA-N
InChI InChI=1S/2C13H20O/c2*1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3;6-8,12H,5,9H2,1-4H3/b2*8-7+, InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3, InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
IUPAC name (E)-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)-3-buten-2-one;(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-buten-2-one, (E)-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-buten-2-one, (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one, (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one;(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one, 4-(2,6,6-trimethyl-1-cyclohexenyl)-3-buten-2-one, 4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Molecular formula C13H20O, C26H40O2
SMILES CC1=C(C(CCC1)(C)C)/C=C/C(=O)C, CC1=C(C(CCC1)(C)C)/C=C/C(=O)C.CC1=CCCC(C1/C=C/C(=O)C)(C)C, CC1=C(C(CCC1)(C)C)C=CC(=O)C, CC1=C(C(CCC1)(C)C)C=CC(=O)C.CC1=CCCC(C1C=CC(=O)C)(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 418434e3-bfb2-457d-b407-4e97c9775760 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one||dimension=Environmental > media=Ground > geography=Unknown; cas=14901-07-6; added Common Chemistry CAS names as altLabel: 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one, 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one, NSC 402758, NSC 46137; object_uuid=fo-035c333a44429a6f
cas_match_labels 1 — consensus_match group_key=4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'14901-07-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-035c333a44429a6f: {'14901-07-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
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cas_match_labels None {'14901-07-6': 'exactMatch'} group_key=4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'14901-07-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-035c333a44429a6f: {'14901-07-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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