3,4,4a,5,6,7,8,8a-octahydro-6-isopropylnaphthalene-2(1H)-one (CAS 34131-98-1) — formula C13H22O, molecular weight 194.31; category organic chemicals.
| CAS Number | 34131-98-1 |
|---|---|
| Molecular Formula | C13H22O |
| Molecular Weight | 194.31 |
| Boiling Point | 273.00 to 274.00 °C. @ 760.00 mm Hg |
| LogP | 3.5 |
| Applications | Use Classification: Fragrance Ingredients, General Manufacturing Information: 2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, General Manufacturing Information: 2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)-: ACTIVE.
3,4,4a,5,6,7,8,8a-octahydro-6-isopropylnaphthalene-2(1H)-one is a carbon-based organic compound with CAS registry number 34131-98-1 and molecular formula C13H22O (molecular weight 194.31), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 34131-98-1
Its molecular formula C13H22O comprises 13 C, 22 H, 1 O atoms.
Also known as: 3,4,4a,5,6,7,8,8a-octahydro-6-isopropylnaphthalene-2(1H)-one · 3,4,4a,5,6,7,8,8a-八氢-6-异丙基萘-2(1H)-酮
Category: organic chemicals
The CAS registry number of 3,4,4a,5,6,7,8,8a-octahydro-6-isopropylnaphthalene-2(1H)-one is 34131-98-1.
Molecular formula C13H22O, molecular weight 194.31.
It is also registered under: 3,4,4a,5,6,7,8,8a-octahydro-6-isopropylnaphthalene-2(1H)-one, 3,4,4a,5,6,7,8,8a-八氢-6-异丙基萘-2(1H)-酮.
Recorded applications: Use Classification: Fragrance Ingredients, General Manufacturing Information: 2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 3,4,4a,5,6,7,8,8a-octahydro-6-isopropylnaphthalene-2(1H)-one (CAS 34131-98-1), compiled from public chemistry databases.
| CAS Registry Number | 34131-98-1 |
|---|---|
| PubChem CID | 118134 |
| Molecular formula | C13H22O |
| IUPAC name | 6-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one |
| UNII (FDA) | 2F97U2I94O |
| Molecular Weight | 194.31 |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 194.167065321 |
| Monoisotopic Mass | 194.167065321 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 14 |
| Boiling Point | 273.00 to 274.00 °C. @ 760.00 mm Hg |
|---|---|
| Solubility | 32 mg/L @ 20 °C (exp) |
2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)-; 3,4,4a,5,6,7,8,8a-Octahydro-6-isopropylnaphthalene-2(1H)-one; DTXSID10865703; RefChem:439768; DTXCID20814080; Decatone; 34131-98-1; 6-Isopropyl-2-decalone; 6-Isopropyldecalone; 6-isopropyloctahydronaphthalen-2(1h)-one; 6-Isopropyl-3,4,4a,5,6,7,8,8a-octahydro-2(1H)-naphthalenone; 6-Isopropyl-2(1H)-octahydronaphthalenone; 6-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one; Octahydro-6-(1-methylethyl)-2(1H)-Naphthalenone; Octahydro-6-isopropyl-2(1H)-naphthalenone; EINECS 251-840-1
| GHS notification summary | 8.2% (86 / 1045) |
|---|
| GHS notification summary | 8.2% (86 / 1045) |
|---|---|
| Reported hazard statements | H315 (91.8%) |
This chemical does not meet GHS hazard criteria for 8.2% (86 of 1045) of reports.
H315 (91.8%): Causes skin irritation [Warning Skin corrosion/irritation]
3,4,4a,5,6,7,8,8a-octahydro-6-isopropylnaphthalene-2(1H)-one · CAS 34131-98-1 · C13H22O. UNII 2F97U2I94O. Boiling Point: 273.00 to 274.00 °C. @ 760.00 mm Hg; Solubility: 32 mg/L @ 20 °C (exp).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.