(Z)-pinane

(1alpha,2beta,5alpha)-2,6,6-trimethyl bicyclo(3.1.1)heptane

CAS: 6876-13-7 C10 H18 MW: 138.25346000 balsamic

Identification

Name	(Z)-pinane
IUPAC	(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
CAS Number	6876-13-7
EINECS	229-978-9
FDA UNII	TV65U59B7P
Molecular Formula	C10 H18
Molecular Weight	138.25346000
Nikkaji Number	J9.284C

Regulatory

Physical Properties

Appearance	pale yellow clear liquid (est)
Assay	96.00 to 100.00
Food Chemicals Codex Listed	No
Specific Gravity	0.81900 @ 25.00 °C.
Refractive Index	1.41500 @ 20.00 °C.
Boiling Point	156.00 to 157.00 °C. @ 760.00 mm Hg
Vapor Pressure	3.626000 mmHg @ 25.00 °C. (est)
Vapor Density	4.8 ( Air = 1 )
Flash Point	107.00 °F. TCC ( 41.67 °C. )
logP (o/w)	4.686 (est)
Soluble in	alcohol
Insoluble in	water

Cosmetic Information

CosIng	cosmetic data
Cosmetic Uses	perfuming agents

Organoleptic Properties

Odor Strength	medium
Substantivity	8 hour(s) at 100.00 %
Odor Description	at 100.00 %.
Odor sample from	Millennium Chemicals

Safety Information

European information	Most important hazard(s):
Oral/Parenteral Toxicity	oral-rat LD50 > 5000 mg/kg
Dermal Toxicity	Not determined
Inhalation Toxicity	Not determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Category	fragrance agents
RIFM Fragrance Material Safety Assessment	Search
Recommendation for (Z)-pinane usage levels up to	4.0000 % in the fragrance concentrate.
Recommendation for (Z)-pinane flavor usage levels up to	not for flavor use.

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6876-13-7 cis-Pinane

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Potential Uses

FR amyris FR ash mountain ash FR azalea FR baby powder FR balsam FR beeswax absolute replacer FL/FR benzoin absolute replacer FL/FR camphor tree bark FR cardamom oil replacer FL/FR cistus FL/FR copaiba balsam FR coronilla FR davana oil replacer FR elemi FR evergreen fir FR fir balsam FR fir needle oil replacer FR galbanum FR habuba FR herbal FR hugonia FL/FR hyssop FR incense FR juniper berry FR labdanum liverwort FR mastic oil replacer FR myrrh FR opoponax FR patchouli FR peru balsam FR pine FL/FR pine needle FL/FR pine scotch pine FR pinion FR styrax FR tolu balsam FL/FR valerian FR vetiver FR woody

Natural Occurrence

origanum onites shoot

Synonyms

(Z)- pinane cis- pinane (1alpha,2beta,5alpha)-2,6,6- trimethyl bicyclo(3.1.1)heptane (Z)- trimethyl bicycloheptane (1S,5S)-2,6,6- trimethylbicyclo[3.1.1]heptane PubMed: Quantum chemical investigation of the thermal rearrangement of cis- and trans-pinane. PubMed: Kinetic model for the thermal rearrangement of cis- and trans-pinane. PubMed: Temperature dependence of the optical rotation in six bicyclic organic molecules calculated by vibrational averaging. PubMed: Terpenoids biotransformation in mammals III: Biotransformation of alpha-pinene, beta-pinene, pinane, 3-carene, carane, myrcene, and p-cymene in rabbits.