피난,디데히드로유도체

0.8467 at 70 °F (NTP, 1992) - Less dense than water; will float

0.8467

304 °F at 760 mmHg (NTP, 1992)

169 °C

2 mmHg at 68 °F approximately (NTP, 1992)

5.16 [mmHg]

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P273, P280, P301+P316, P303+P361+P353, P331, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 432 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Chemical: Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-

Bicyclo[3.1.1]heptane, 2,6,6-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Bicyclo[3.1.1]heptane, 2,6,6-trimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Pinane: Does not have an individual approval but may be used under an appropriate group standard

0 - Materials that, under emergency conditions, would offer no hazard beyond that of ordinary combustible materials.

0 - Materials that will not burn under typical fire conditions, including intrinsically noncombustible materials such as concrete, stone, and sand.

0 - Materials that in themselves are normally stable, even under fire conditions.

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

RECOMMENDED RESPIRATOR: Where the neat test chemical is stored, weighed and diluted, wear an approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. Splash proof safety goggles should be worn while handling this chemical. Alternatively, a full face respirator, equipped as above, may be used to provide simultaneous eye and respiratory protection. (NTP, 1992)

LC50; Species: Oncorhynchus mykiss (Rainbow trout, larvae); Conditions: freshwater, flow through, 10 °C, hardness 120 mg/L CaCO3; Concentration: 0.0008 ug/L for 60 days /formulated product/

EC50; Species: Daphnia pulex (Water flea, neonate age <24 hr); Conditions: freshwater, static, 20 °C, hardness 160-180 mg/L CaCO3, alkalinity 120-125 mg/L CaCO3, dissolved oxygen 8-9 mg/L; Concentration: 3354 ug/L for 48 hr; Effect: intoxication, immobilization /> or =96% purity/

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1,200(SRC), determined from a structure estimation method(2), indicates that dihydropinene is expected to have low mobility in soil (SRC). Volatilization of dihydropinene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.35 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Dihydropinene is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.2 mm Hg(SRC), determined from a fragment constant method(4). Biodegradation data were not available(SRC, 2008).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1,200(SRC), determined from a structure estimation method(2), indicates that dihydropinene is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 0.35 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 3.4 hr and 4.7 days, respectively(SRC). Dihydropinene is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). According to a classification scheme(5), an estimated BCF of 450(SRC), from an estimated log Kow of 4.4(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is high, provided the compound is not metabolized by the organism(SRC). Biodegradation data were not available(SRC, 2008).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), dihydropinene, which has an estimated vapor pressure of 2.19 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase dihydropinene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 29 hr(SRC), calculated from its rate constant of 1.34X10-11 cu cm/molecule-sec at 25 °C(3). Dihydropinene does not contain chromophores that absorb at wavelengths >290 nm(4) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

/AQUATIC SPECIES/ Nearly 500 compounds were detected in the tissues of Great Lakes fish as compared to 8 in tissues of hatchery-reared fish. Lethal concentrations for many representative compounds were determined by testing their acute toxicity (48-hr EC50) to Daphnia pulex. However, the population growth and survival of aquatic organisms over longer time intervals are usually affected at concentrations much lower than the EC50 for a specific chemical. To develop a general relationship between acute and chronic concentrations for representative compounds detected in Great Lakes fish full-life-cycle testing /was initiated/ on D. pulex with ... pinane. Growth and fecundity of daphnids was measured in 16-d tests in the laboratory ... Pinane was moderately toxic to D. pulex in acute studies ... Cyclic alkanes, many of which are constituents of crude oil were represented by pinane for which the EC50 was 3.35 mg/L / at which the endpoint was growth and survival/.

/AQUATIC SPECIES/ To evaluate the hazard of organic compounds detected in Great Lakes fish by gas chromatography/mass spectrometry, ... compounds representative of heterocyclic nitrogen compounds, polycyclic aromatic hydrocarbons, and cyclic alkanes and alkenes /were tested/. Sixty-day bioassays on the effects of nicotine, phenanthrene, pinane, and pinene on the behavior, growth, and survival of rainbow trout fry, Oncorhynchus mykiss, were conducted in a large, constant-flow, temperature-controlled water system.

Using a structure estimation method based on molecular connectivity indices(1), the Koc of dihydropinene can be estimated to be 1,200(SRC). According to a classification scheme(2), this estimated Koc value suggests that dihydropinene is expected to have low mobility in soil.

Dihydropinene's production and use as a chemical intermediate for the production of flavor and fragrance chemicals and use in industry for the production of pinane hydroperoxide(1) may result in its release to the environment through various waste streams(SRC).

An estimated BCF of 450 was calculated for dihydropinene(SRC), using an estimated log Kow of 4.35(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high(SRC), provided the compound is not metabolized by the organism(SRC).

The Henry's Law constant for dihydropinene is estimated as 0.35 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that dihydropinene is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3.4 hrs(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4.7 days(SRC). Dihydropinene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Dihydropinene is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.2 mm Hg(SRC), determined from a fragment constant method(3).

The rate constant for the vapor-phase reaction of trans-dihydropinene with photochemically-produced hydroxyl radicals has been estimated as 1.34X10-11 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 29 hrs at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Dihydropinene is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). Dihydropinene does not contain chromophores that absorb at wavelengths >290 nm(2) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

Occupational exposure to dihydropinene may occur through inhalation and dermal contact with this compound at workplaces where dihydropinene is produced or used. Use data suggests that the general population may be exposed to dihyropinene via inhalation of and dermal contact with consumer products containing this compound. (SRC)

The major metabolite of pinane was alpha-terpineol and minor metabolites were pinan-2-ol and pinan-3-ol.

The biotransformation of (+)-, (-)-, and (+-)-alpha-pinenes, (-)-beta-pinene (nopinene), (-)-cis-pinane, (+)-3-carene, (-)-cis-carane, myrcene, and p-cymene in rabbits was investigated. The major metabolites were as follows: (-)-trans-verbenol from (+)-, (-)-, and (+/-)-alpha-pinenes; (-)-10-pinanol and (-)-1-p-menthene-7,8-diol from (-)-beta-pinene; (-)-alpha-terpineol and (-)-trans-sobrerol from (-)-cis-pinane; (-)-m-mentha-4,6-dien-8-ol, 3-caren-9-ol, (-)-3-carene-9-carboxylic acid, and 3-carene-9,10-dicarboxylic acid from (+)-3-carene; carane-9,10-dicarboxylic acid from (-)-cis-carane; and myrcene-3(10)-glycol, myrcene-1,2-glycol, uroterpenol, and p-cymene-9-carboxylic acid from p-cymene. These metabolisms include allylic oxidation, epoxidation, stereoselective gem-dimethyl hydroxylation and its oxidation, cleavage of a conjugated double bond by epoxidation, and regioselective oxidation, some of which are not found usually in chemical reactions, and due to which various new compounds were determined. This biotransformation of the monoterpene hydrocarbons gave some insect pheromones in high yield.

Used to make 3,7-dimethyl-1,6-octadiene (perfumery intermediate); [HSDB]

Pinane is used in industry for the production of pinane hydroperoxide. It is also important as an intermediate in the production of 3,7-dimethylocta-1,6-diene, which is used to produce perfumes, such as citronellol, citronellal and hydroxycitronellal.

... an important starting material in the industrial processes used in the fragrance and flavor industry

... use as a polymerization accelerator for rubber

CHEM INT FOR 3,7-DIMETHYL-1,6-OCTADIENE, A PERFUMERY INT

2023: <50,000 lb

(1980) PROBABLY GREATER THAN 2.27X10+6 GRAMS

(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Dihydropinene is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#5493]

All Other Basic Organic Chemical Manufacturing

Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-: ACTIVE

The oxidation of pinane with air or oxygen gives 2-pinane hydroperoxide or 2-pinanol. In industry, oxidation is carried out in the presence of catalysts.

Pinane derivatives occur in wood, the leaves of many plants, algae, and insects. Pinane itself ... does not occur naturally ... formed on the hydrogenation of pinane derivatives