Lactoscatone
Basic information
- CAS
21280-29-5- Standard SMILES
CC12CCC3(CCCC(C)(C)C3C1)OC2=O- InChIKey
TUVXRDNMAFEUBI-UHFFFAOYSA-N- Molecular formula
- C14H22O2
- Average molar mass
- 222.32 g/mol
- Monoisotopic mass
- 222.16197994
Names & identifiers
- Preferred name
- Lactoscatone
- IUPAC
- 5,5,8-trimethyl-10-oxatricyclo[6.2.2.01,6]dodecan-9-one
- English name
- decahydro-2,8,8-trimethylnaphthalene-2,4a-carbolactone
- Molecular formula
- C14H22O2
- Molecular weight
- 222.32
Names & synonyms
Lactoscatone3,8a-Ethano-8aH-1-benzopyran-2(3H)-one, hexahydro-3,5,5-trimethyl-Decahydro-2,8,8-trimethylnaphthalene-2,4a-carbolactoneEINECS 244-310-6DTXSID60864983Hydroxy-4,7,7-trimethyl-4-carboxylic acid-lactoneHexahydro-3,5,5-trimethyl-3,8a-ethano-8aH-1-benzopyran-2(3H)-one1-Hydroxy-4,7,7-trimethylbicyclo(4.4.0)decane-4-carboxylic acid lactoneDecahydro-4-alpha-hydroxy-2,8,8-trimethyl-2-naphthoic acid, gamma-lactoneRefChem:798381DTXCID10813441244-310-6
Show more names
LACTOSCATONHydroxy-4animal carbolactone7-trimethyl-4-carboxylic acid-lactoneDecahydro-2,8,8-trimethylnaphthalin-2,4a-carbolactonDecahydro-4a-hydroxy-2,8,8-trimethyl-2-naphthoic acid lactonehexahydro-3,5,5-trimethyl-8a-ethano-8ah-1-benzopyran-2(3h)-one
EINECS 244-479-6Undecafluorohexanoic acid, ammonium salt21280-29-55,5,8-trimethyl-10-oxatricyclo[6.2.2.01,6]dodecan-9-one2,8,8-trimethyloctahydro-2h-4a,2-(epoxymethano)naphthalen-10-oneorb1696642SCHEMBL3508518TUVXRDNMAFEUBI-UHFFFAOYSA-N
Database identifiers
- CAS
21280-29-5- PubChem CID
- 89479
- DTXSID
DTXSID60864983- EC Number
- 244-310-6
- Nikkaji
- J57.982C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 347
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Lactoscatone) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 303.51 °C · 303.51°C (rough estimate)
- Density
- 1.02 · 1.0200 (rough estimate)
- refractive index
- 1.4576 · 1.4576 (estimate)
- Odor
- 10 % · at 10.00 % in dipropylene glycol. dry animal amber ambergris civet musk
- Odor Type
- animal
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.6 · 3.600
- EPA Substance Registry System
- 3 · 3,8a-Ethano-8aH-1-benzopyran-2(3H)-one, hexahydro-3,5,5-trimethyl- (21280-29-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1565 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 3,8a-Ethano-8aH-1-benzopyran-2(3H)-one, hexahydro-3,5,5-trimethyl-
3,8a-Ethano-8aH-1-benzopyran-2(3H)-one, hexahydro-3,5,5-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information3,8a-Ethano-8aH-1-benzopyran-2(3H)-one, hexahydro-3,5,5-trimethyl-: ACTIVE
Suppliers
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Related reactions
0 records
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Compound notes
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