CAS 13380-94-4 4,7-Methano-5H-inden-5-one, octahydro- (HCID 96509)

Names & identifiers

Preferred name: 4,7-Methano-5H-inden-5-one, octahydro-
IUPAC: tricyclo[5.2.1.02,6]decan-8-one
English name: TRICYCLO[5.2.1.02,6]DECAN-8-ONE
Molecular formula: C10H14O
Molecular weight: 150.22

Names & synonyms

4,7-Methano-5H-inden-5-one, octahydro-Tricyclo[5.2.1.02,6]decan-8-oneTricyclo(5.2.1.02,6)decane-8-oneEINECS 236-458-54,7-Methanoindan-5(4H)-one, tetrahydro-NSC 77098DTXSID90474638-Ketotricyclo(5.2.1.0(sup2,6))decaneTricyclo(5.2.1.02,6)decan-8-oneBRN 19079678-Oxotricyclo(5.2.1.0(sup2,6))decaneAI3-12157

Show more names

Octahydro-5H-4,7-methanoinden-5-oneCorodanetricyclodecane-8-oneTRICYCLO[5.2.1.0]DECAN-8-ONETricyclo[5.2.1.02.6]-8-decanoneTRICYCLO[5.2.1.02'6]DECAN-8-ONETricyclo[5.2.1.0(2,6)]decanone-8-Oxotricyclo[5.2.1.0(2,6)]decane

8-Oxotricyclo(5.2.1.0(sup 2,6))decane8-Ketotricyclo(5.2.1.0(sup 2,6))decaneTricyclo(5.2.1.0(sup 2,6))decan-8-oneDTXCID70274632-07-00-00133 (Beilstein Handbook Reference)Tricyclo[5.2.1.02,6]decane-8-one8-Ketotricyclo[5.2.1.0(sup2,6)]decane8-Oxotricyclo[5.2.1.0(sup2,6)]decane

Database identifiers

CAS: 13380-94-4
PubChem CID: 96509
DTXSID: DTXSID9047463
ChEMBL: CHEMBL3188674
EC Number: 236-458-5
Nikkaji: J48.660D

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 209

Experimental & physicochemical properties

FragrancesFragrance Ingredient (Tricyclo[5.2.1.02,6]decan-8-one) -> IFRA transparency List

Physicochemical properties

Boiling point: 132 °C · 132 °C / 30mmHg
Density: 1.05 · 1.05
refractive index: 1.5 to · 1.5000 to 1.5030
Flash point: 102 °C · 102 °C
storage temp.: 2 · Storage temp. 2-8°C
Water Solubility: Slightly soluble in water
form: clear liquid
color: Colorless to Almost colorless
Cosmetics Ingredients Functions: PERFUMING
LogP: 2.017 · 2.017 (est)
CAS DataBase Reference: 13380 · 13380-94-4
EWG's Food Scores: 1 · 1
EPA Substance Registry System: 4 · 4,7-Methano-5H-inden-5-one, octahydro- (13380-94-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312
Precautionary statements: 501 · P501-P270-P264-P280-P362+P364-P301+P312+P330-P302+P352+P312
RTECS: 350000 · PC0350000
TSCA: TSCA listed
HS Code: 2914.29 · 2914.29.5000
Toxicity: 50 orl-rat: · LD50 orl-rat: 710 mg/kg TXAPA9 28,313,74

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 86.1% (205 of 238) of all reports.

Warning

H302+H312 (12.2%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 238 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: 4,7-Methano-5H-inden-5-one, octahydro-

Other Safety InformationIMAP assessments - 4,7-Methano-5H-inden-5-one, octahydro-: Environment tier I assessment

Hazard Classes and CategoriesAcute Tox. 4 (13.4%)

Safety data

tsca: TSCA listed
rtecs: PC0350000
hs_code: 2914.29.5000
Toxicity: LD50 orl-rat: 710 mg/kg TXAPA9 28,313,74
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302+H312
Precautionary statements: P501-P270-P264-P280-P362+P364-P301+P312+P330-P302+P352+P312

Chemistry & industry

Uses & manufacturing

Use ClassificationFragrance Ingredients

General Manufacturing Information4,7-Methano-5H-inden-5-one, octahydro-: ACTIVE

Applications · 1 item

UsesOctahydro-4,7-methano-5H-inden-5-one is a useful synthetic intermediate. It is used as a reagent to synthesize hindered olefins such as diamantanol. It can also be used as a reagent to enhance the glass transition temperature of polymethyl methacrylate (PMMA).