2,10-Epoxypinane

HCID 93046CAS 6931-54-0

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Basic information

Standard SMILES: CC1(C)C2CCC3(CO3)C1C2
InChIKey: OUXAABAEPHHZPC-UHFFFAOYSA-N
Molecular formula: C10H16O
Average molar mass: 152.23 g/mol
Monoisotopic mass: 152.12011513

Overview

(+)-beta-Pinene oxide has been reported in Artemisia annua with data available.

Names & identifiers

Preferred name: 2,10-Epoxypinane
IUPAC: 6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]
English name: (+)-beta-Pinene oxide
Molecular formula: C10H16O
Molecular weight: 152.23

Names & synonyms

2,10-Epoxypinanebeta-Pinene oxide6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane].beta.-Pinene oxideCCRIS 3760Spiro[bicyclo[3.1.1]heptane-2,2'-oxirane], 6,6-dimethyl-EINECS 230-055-8BRN 0105830Spiro(bicyclo(3.1.1)heptane-2,2'-oxirane), 6,6-dimethyl-DTXSID708639625-17-01-00423 (Beilstein Handbook Reference)6,6-dimethylspiro(bicyclo(3.1.1)heptane-2,2'-oxirane)

Show more names

(+)-β-PineneoxidePinanRosemane2,10-epoxy-pinanBETA-PINANEOXIDEbeta-pineneepoxide(+)-beta-Pinene oxid.beta.-Pinene epoxide

RefChem:80505DTXCID90219301230-055-8OUXAABAEPHHZPC-UHFFFAOYSA-N6931-54-0beta-Pinene epoxidePinane, 2,10-epoxy-(+)-Beta-Pinene oxide

Database identifiers

CAS: 6931-54-0
PubChem CID: 93046
DTXSID: DTXSID70863962
EC Number: 230-055-8
Nikkaji: J195.376A

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 12.5 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 (2,10-Epoxypinane) -> IFRA transparency List

Physicochemical properties

Boiling point: 98 · 98-100 °C (27 mmHg)
alpha: 6.5 · 6.5 º (neat)
Density: 0.97 · 0.97
refractive index: 1.476 · 1.476-1.481
Flash point: 66 °C · 66 °C
Odor: 100 % · at 100.00 %. rosemary sage herbal camphor
Odor Type: herbal
Cosmetics Ingredients Functions: PERFUMING
LogP: 2.384 · 2.384 (est)
NIST Chemistry Reference: 3.1 · Spiro[bicyclo[3.1.1]heptane-2,2'-oxirane], 6,6-dimethyl-(6931-54-0)
EPA Substance Registry System: 3.1 · Spiro[bicyclo[3.1.1]heptane-2,2'-oxirane], 6,6-dimethyl- (6931-54-0)
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 317 · H317-H400
Precautionary statements: 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 89.9% (223 of 248) of all reports.

Warning

H317 (10.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 248 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Spiro[bicyclo[3.1.1]heptane-2,2'-oxirane], 6,6-dimethyl-

Hazard Classes and CategoriesSkin Sens. 1 (10.1%)

Safety data

tsca: TSCA listed
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: Xi
safety_code: 37/39-26
Hazard statements: H317-H400
Precautionary statements: P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501