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Home> Encyclopedia > Hot Product Listed 7   > 7-Oxabicyclo[2.2.1]heptane,1-methyl-4-(1-methylethyl)-
470-67-7 structure

7-Oxabicyclo[2.2.1]heptane,1-methyl-4-(1-methylethyl)-

CAS No.:470-67-7
EINECS(EC#): 207-428-9
Molecular Weight:154.24932
Molecular Formula:C10H18O (isomer)
Names and Identifiers
Synonyms

1,4-Cineol 1,4-cineol, mixture of isomers 1,4-CINEOLE, TERPENE STANDARD 1,4-cineole,1-methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptane,isocineole,1,4-epoxy-p-menthane 1-methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptan 7-Oxabicyclo(2.2.1)heptane, 1-isopropyl-4-methyl- 7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)- 7-Oxabicyclo[2.2.1]heptane,1-isopropyl-4-methyl- (6CI) CINEOLE, 1,4-(SG) Isocineole p-Menthane, 1,4-epoxy p-Menthane, 1,4-epoxy- (7CI,8CI)

Inchi
InChI=1/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3
InChkey
RFFOTVCVTJUTAD-UHFFFAOYSA-N
Canonical Smiles
CC(C)C12CCC(O1)(CC2)C
Properties
Appearance
colourless mobile liquid; camphor like aroma
Density
0.887
Melting Point
-46 ºC
Boiling Point
65 ºC (16 mmHg)
Vapour
1.69mmHg at 25°C
Refractive Index
1.445
Flash Point
118 ºF
Solubility
Insoluble in water, soluble in oils
Color/Form
COLORLESS LIQ
Spectral properties
INDEX OF REFRACTION: 1.4562 @ 20 DEG C/D
IR: 8580 (Sadtler Research Laboratories Prism Collection)
MASS: 4178 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63)
Safety and Handling
Risk Statements
R10
Safety Statements
16
HazardClass
3.2
Safety
Risk Statements:10
10:Flammable
Safety Statements:16
16:Keep away from sources of ignition - No smoking
RIDADR:UN 1993 3/PG 3
WGK Germany:2
HazardClass:3.2
PackingGroup:III
Hazardous Substances Data:470-67-7(Hazardous Substances Data)
Toxicity

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OS9274000
CHEMICAL NAME :
p-Menthane, 1,4-epoxy-
CAS REGISTRY NUMBER :
470-67-7
BEILSTEIN REFERENCE NO. :
0104974
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C10-H18-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,291,1988
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,291,1988 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2327 No. of Facilities: 2350 (estimated) No. of Industries: 29 No. of Occupations: 26 No. of Employees: 38044 (estimated) No. of Female Employees: 9165 (estimated)
PackingGroup
III
Transport
UN 1993
Exposure Standards and Regulations
172.515.
Specification

Safety Statements:16
16:Keep away from sources of ignition - No smoking
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H226 Flammable liquid and vapour

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:154.24932g/mol
  • Molecular Formula:C10H18O
  • Exact Mass:154.135765
  • Monoisotopic Mass:154.135765
  • Complexity:164
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:9.2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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