cis-2-pinanol
2,6,6-trimethylbicyclo(3.1.1)heptan-2-ol, (1a,2,5a)-
 
Notes:
None found
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2,7,7-trimethylbicyclo[3.1.1]heptan-2-ol (Click)
CAS Number: 4948-28-1Picture of molecule
ECHA EINECS - REACH Pre-Reg: 225-591-4
FDA UNII: 2J3SJ3OQEU
Nikkaji Web: J40.558B
Beilstein Number: 5476390
MDL: MFCD00067143
XlogP3-AA: 2.10 (est)
Molecular Weight: 154.25266000
Formula: C10 H18 O
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
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Physical Properties:
Appearance: white solid (est)
Assay: 95.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Melting Point: 43.00 to  46.00 °C. @ 760.00 mm Hg
Boiling Point: 204.00 to  206.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.068000 mm/Hg @ 25.00 °C. (est)
Vapor Density: 5.3 ( Air = 1 )
Flash Point: 175.00 °F. TCC ( 79.44 °C. )
logP (o/w): 2.650 (est)
Soluble in:
 alcohol
 water, 863.1 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: woody
Odor Strength: medium
 pine  woody  fir needle  camphoreous  incense  
Odor Description:
at 100.00 %. 
pine woody fir needle camphor incense
Luebke, William tgsc, (1993)
Substantivity: 28 Hour(s)
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
BOC Sciences
For experimental / research use only.
cis-2-Pinanol
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Safety Information:
European information :
Most important hazard(s):
Xn - Harmful.
R 21/22 - Harmful in contact with skin and if swallowed.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50  2050 mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 107S, 1992.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 107S, 1992.

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: fragrance agents
Recommendation for cis-2-pinanol usage levels up to:
  3.0000 % in the fragrance concentrate.
 
Recommendation for cis-2-pinanol flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
NLM Hazardous Substances Data Bank: Search
EPA Substance Registry Services (TSCA): 4948-28-1
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 10128
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 1325
WGK Germany: 2
 2,7,7-trimethylbicyclo[3.1.1]heptan-2-ol
Chemidplus: 0004948281
RTECS: DT5080000 for cas# 4948-28-1
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References:
 2,7,7-trimethylbicyclo[3.1.1]heptan-2-ol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 4948-28-1
Pubchem (cid): 10128
Pubchem (sid): 134975675
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2906.19.0000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
alpha-fenchyl acetate 
 pine needle concreteFR
(Z)-verbenolFL/FR
(E)-verbenolFL/FR
 xanthoxylin 
aldehydic
 pinoacetaldehydeFR
amber
 amber decaneFR
 ambroxideFL/FR
balsamic
 abies alba cone oilFR
 balsam fir oleoresinFL/FR
dextro-borneolFL/FR
laevo-borneolFL/FR
dextro,laevo-borneolFL/FR
laevo-bornyl acetateFL/FR
 bornyl acetateFL/FR
isobornyl isobutyrateFL/FR
isobornyl methyl etherFL/FR
isobornyl phenyl acetateFL/FR
isobornyl propionateFL/FR
 conifer acetateFR
 cypress absoluteFR
 fenchyl acetateFL/FR
 fir balsam absoluteFR
 fir balsam oregonFR
 fir carboxylateFR
 fir needle oil canadaFL/FR
 fir needle oil siberiaFL/FR
 fir needle oil terpeneless canadaFL/FR
 gurjun balsamFR
 hemlock western oil (tsuga heterophylla) canadaFR
 hexyl cinnamateFR
 juniper berry oil terpenelessFL/FR
 nopolFL/FR
(Z)-pinaneFR
 pine needle absoluteFL/FR
 spruce needle absoluteFL/FR
red spruce oilFR
 terpinyl benzoateFR
 terpinyl isovalerateFL/FR
 verbenolFL/FR
camphoreous
 bornyl isobutyrateFL/FR
 camphor tree bark oilFL/FR
 fencholFL/FR
 hinoki leaf oilFR
earthy
scotch pine needle oilFL/FR
floral
gamma-damasconeFR
 verdyl acetateFR
herbal
 bornyl salicylateFR
1,4-cineoleFL/FR
alpha-dihydroterpineolFL/FR
 dihydroterpinyl acetateFL/FR
 herbal undecanoneFR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
 hyssop oilFL/FR
 myrtenolFL/FR
 nopyl acetateFR
 pine hexanolFR
L-(-)-alpha-pineneFL/FR
alpha-pineneFL/FR
beta-pineneFL/FR
laevo-beta-pineneFL/FR
 pinocarveolFL/FR
 sage oleoresinFL/FR
 terpineol acetateFL/FR
 terpinoleneFL/FR
 tricyclo(5.2.1.02,6)dec-3-enyl acetateFR
pine
 dipentene terpene hydrocarbon byproductsFR
 tea tree oilFR
terpenic
 cypress leaf oilFR
 juniperus communis fruit oilFL/FR
laevo-limoneneFL/FR
 pine needle oil dwarfFL/FR
D-(+)-beta-pineneFL/FR
 pinus nigra twig leaf oilFR
woody
 amber decatrieneFR
 ambrene acetalFR
 amyris acetateFR
isobornyl isovalerateFL/FR
 campheneFL/FR
(-)-campheneFL/FR
(+)-campheneFL/FR
 caryophyllene alcohol acetateFR
 cedanolFR
 cedar cyclododecatrieneFR
 cedarwood oil himalayaFR
 cedarwood oil port orfordFR
(R)-cedraloneFR
 cedrela wood oilFR
alpha-cedreneFL/FR
 cedrenyl acetateFR
 cedryl acetateFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-olFL/FR
 longifoleneFL/FR
 myrtenyl formateFL/FR
 myrtenyl isobutyrate 
 nopyl aldehydeFR
 sabineneFL/FR
 spruce needle oil canadaFL/FR
 sugi wood oilFR
 woody acetateFR
(Z)-woody amyleneFR
 woody dodecaneFR
 woody etherFR
 
For Flavor
 
No flavor group found for these
 ambroxideFL/FR
 balsam fir oleoresinFL/FR
laevo-borneolFL/FR
dextro,laevo-borneolFL/FR
dextro-borneolFL/FR
laevo-bornyl acetateFL/FR
 bornyl isobutyrateFL/FR
isobornyl isobutyrateFL/FR
isobornyl methyl etherFL/FR
isobornyl phenyl acetateFL/FR
isobornyl propionateFL/FR
(-)-campheneFL/FR
(+)-campheneFL/FR
alpha-cedreneFL/FR
 cedryl acetateFL/FR
alpha-dihydroterpineolFL/FR
 dihydroterpinyl acetateFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-olFL/FR
alpha-fenchyl acetate 
 fenchyl acetateFL/FR
 fir needle oil canadaFL/FR
laevo-limoneneFL/FR
 longifoleneFL/FR
 myrtenyl formateFL/FR
 myrtenyl isobutyrate 
 nopolFL/FR
 pine needle absoluteFL/FR
scotch pine needle oilFL/FR
L-(-)-alpha-pineneFL/FR
laevo-beta-pineneFL/FR
D-(+)-beta-pineneFL/FR
 terpineol acetateFL/FR
(E)-verbenolFL/FR
(Z)-verbenolFL/FR
 xanthoxylin 
balsamic
 fir needle oil siberiaFL/FR
 fir needle oil terpeneless canadaFL/FR
 juniper berry oil terpenelessFL/FR
 spruce needle absoluteFL/FR
bitter
 terpinyl isovalerateFL/FR
camphoreous
 bornyl acetateFL/FR
 campheneFL/FR
 camphor tree bark oilFL/FR
 fencholFL/FR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
cooling
1,4-cineoleFL/FR
herbal
 hyssop oilFL/FR
 pinocarveolFL/FR
 sage oleoresinFL/FR
 verbenolFL/FR
minty
 myrtenolFL/FR
pine
 pine needle oil dwarfFL/FR
beta-pineneFL/FR
powdery
 powdery ketoneFL
spicy
white pepper oleoresinFL
terpenic
 juniperus communis fruit oilFL/FR
woody
isobornyl isovalerateFL/FR
alpha-pineneFL/FR
 sabineneFL/FR
 spruce needle oil canadaFL/FR
 terpinoleneFL/FR
 
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Potential Uses:
 camphorFL/FR
 fir needle pine needleFL/FR
 greenFR
 herbalFR
 mintFR
 outdoors freshFR
 pineFR
 woodyFR
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Occurrence (nature, food, other): note
 found in nature
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Synonyms:
 pinan-2-alpha-ol
2-pinanol
alpha-pinanol
cis-2-pinanol
(1alpha,2alpha,5alpha)-2,2,6-trimethyl bicyclo(3.1.1)heptan-2-ol
(1RS,2RS,5RS)-2,6,6-trimethyl bicyclo(3.1.1)heptan-2-ol
1alpha,2alpha,5alpha-2,6,6-trimethyl bicyclo(3.1.1)heptane
(1-a,2-a,5-a)-2,6,6-trimethylbicyclo(3.1.1)heptan-2-ol
2,6,6-trimethylbicyclo(3.1.1)heptan-2-ol, (1a,2a,5a)-
2,6,6-trimethylbicyclo(3.1.1)heptan-2-ol, (1a,2β,5a)-
2,7,7-trimethylbicyclo[3.1.1]heptan-2-ol
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