Bicyclo(2.2.1)heptan-2-one (HCID 10345)

Overview

Norcamphor is a cyclic terpene ketone that is bicyclo[2.2.1]heptane substituted by an oxo group at position 2. It is a bridged compound, a cyclic terpene ketone and a carbobicyclic compound.

Names & identifiers

Preferred name: Bicyclo(2.2.1)heptan-2-one
IUPAC: bicyclo[2.2.1]heptan-2-one
English name: NORCAMPHOR
Molecular formula: C7H10O
Molecular weight: 110.15

Names & synonyms

497-38-1Bicyclo[2.2.1]heptan-2-oneBicyclo(2.2.1)heptan-2-oneDTXSID50883406RefChem:1079768DTXCID90987937Norbornan-2-oneNorcampher2-Oxonorbornane2-Norcamphor2,5-Methanocyclohexanonerac-Norcamphor

Show more names

2-NORBORNANONE(1S,4R)-bicyclo[2.2.1]heptan-2-oneNorbornanoneNORCAMPHOR(SG)Norcamphor,99%NORCAMPHOR(RG)

MFCD00074823NSC 66537(+)-2-norbornanoneBicyclo(2.2.1)-2-heptanoneBicyclo[2.2.1]-2-heptanoneNSC66537NSC-665378,9,10-Trinorbornan-2-one

Database identifiers

CAS: 497-38-1
PubChem CID: 10345
DTXSID: DTXSID50883406
ChEMBL: CHEMBL361682
ChEBI: CHEBI:232344
EC Number: 207-846-1
Nikkaji: J67A

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 128

Experimental & physicochemical properties

Chemical ClassesBiological Agents -> Plant Oils and Extracts

Vapor Pressure2.09 [mmHg]

Physical DescriptionWhite or cream crystals or waxy solid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 93 · 93-96 °C(lit.)
Boiling point: 168 · 168-172 °C(lit.)
Density: 0.9023 · 0.9023 (rough estimate)
refractive index: 1.48 · 1.4800 (estimate)
Flash point: 93 °F · 93 °F
storage temp.: Flammables area
form: Adhering Crystals
color: Colorless to white
Water Solubility: Insoluble in water. Soluble in methanol.
BRN: 1209657 · 1209657
Henry's Law Constant: 4.3 · 4.3×10-1 mol/(m3Pa) at 25℃, Roon et al. (2005)
InChI: InChI=1S/C7H10O/c8-7-4-5-1-2-6(7)3-5/h5-6H,1-4H2
InChIKey: KPMKEVXVVHNIEY-UHFFFAOYSA-N
SMILES: C12CC(CC1)CC2=O
LogP: 0.892 · 0.892 (est)
CAS DataBase Reference: 497 · 497-38-1(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
EPA Substance Registry System: 2.2 · Bicyclo[2.2.1]heptan-2-one (497-38-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Danger
Hazard statements: 228 · H228
Precautionary statements: 210 · P210
PPE: 3 · Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: F
Risk Statements: 11 · 11
Safety Statements: 16 · 16-33
RIDADR: 1325 · UN 1325 4.1/PG 2
WGK Germany: 3 · 3
RTECS: 7680000 · RB7680000
TSCA: TSCA listed
HazardClass: 4.1 · 4.1
PackingGroup: III
HS Code: 29142900 · 29142900
Storage Class: 4.1 B · 4.1B - Flammable solid hazardous materials
Hazard Classifications: 1 · Flam. Sol. 1
Toxicity: 50 ivn-mus: · LD50 ivn-mus: 180 mg/kg CSLNX* NX#04039
Limited Quantities: 1 Kg · 1.0 Kg (2.2 lbs)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H228 (100%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P280, and P370+P378 (click each P-code to see the statement)

Aggregated GHS information provided per 76 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: Bicyclo[2.2.1]heptan-2-one

Hazards SummaryIntravenous LD50 (mouse) = 180 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS] See D-Camphor.

Hazard Classes and CategoriesFlam. Sol. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
rtecs: RB7680000
ridadr: UN 1325 4.1/PG 2
hs_code: 29142900
Toxicity: LD50 ivn-mus: 180 mg/kg CSLNX* NX#04039
risk_code: 11
Signal word: Danger
Symbol(GHS): GHS02
hazard_code: F
safety_code: 16-33
hazard_class: 4.1
Storage Class: 4.1B - Flammable solid hazardous materials
packing_group: III
Hazard statements: H228
Limited Quantities: 1.0 Kg (2.2 lbs)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Flam. Sol. 1
Precautionary statements: P210

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBicyclo[2.2.1]heptan-2-one: ACTIVE

Applications

UsesNorcamphor is used as a building block in organic synthesis. It is also used as a precursor to norborneols.

Upstream & downstream products

Upstream raw materials

Bicyclo[2.2.1]heptane-2-carboxylic acid, 2-hydroxy-Bicyclo[2.2.1]heptane, 2-methoxy-, (1R,2R,4S)-rel-bicyclo[2.2.1]heptan-4-ol Norbornane EXO-NORBORNEOL ENDO-NORBORNEOL 3-Cyclohexene-1-carboxaldehyde Aluminium isopropoxide 1,4-Benzoquinone Norbornene

Downstream products

3-oxatricyclo[3.2.1.02,4]octane NORCAMPHORICACID

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Related reactions

47 records

New reaction record

HRID 36471As reactantuspto-grants-1995_05

HRID 40445As reactantuspto-grants-2013_09

HRID 143031As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 258440As reactantuspto-grants-1993_11

HRID 258444As reactantuspto-grants-1993_11

HRID 372945As productuspto-grants-1992_11

HRID 378177As reactantuspto-grants-2000_02

HRID 487361As reactantuspto-grants-1994_03

Linked notes

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Basic information