Basic information
- CAS
23074-59-1- Standard SMILES
CC(C)COC1=CC(=O)CCC1- InChIKey
FKJAZODXPHIGOL-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- 3-Isobutoxycyclohex-2-en-1-one
- IUPAC
- 3-(2-methylpropoxy)cyclohex-2-en-1-one
- English name
- 3-Isobutoxy-2-cyclohexen-1-one
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
23074-59-13-Isobutoxycyclohex-2-en-1-oneEINECS 245-414-4DTXSID001776453-(2-Methylpropoxy)-2-cyclohexen-1-oneRefChem:502793DTXCID60100136245-414-43-(2-methylpropoxy)cyclohex-2-en-1-one3-Isobutoxycyclohex-2-enone3-Isobutoxy-2-cyclohexenone2-Cyclohexen-1-one, 3-(2-methylpropoxy)-
Show more names
3-Isobutoxycyclohex-2-en-1-on3-ISOBUTYL CYCLOHEX-2-ENE-1-ONE3-Isobutoxy-2-cyclohexene-1-one3-(Isobutyloxy)-2-cyclohexene-1-one3-Isobutoxy-2-cyclohexen-1-one, 99 %
MFCD001431703-ISOBUTOXY-2-CYCLOHEXEN-1-ONESCHEMBL16321161AKOS0173430533-Isobutoxy-2-cyclohexen-1-one, 99%DB-026089NS00027346ST50306914
Database identifiers
- CAS
23074-59-1- PubChem CID
- 89991
- DTXSID
DTXSID00177645- EC Number
- 245-414-4
- Nikkaji
- J275.642K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 257.18 °C · 257.18°C (rough estimate)
- Density
- 0.9812 · 0.9812 (rough estimate)
- refractive index
- 1.489 · 1.489-1.493
- form
- Liquid
- color
- Clear colorless to very slightly yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- Safety Statements
- 24 · 24/25
- HS Code
- 29145000 · 29145000
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
H317 (97.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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 CategoriesSkin Sens. 1 (97.4%)
Safety data
- hs_code
- 29145000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers14 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
武汉易谊化学科技有限公司0711-3617768 13308685235 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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