EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

cis-2-pinanol

Supplier Sponsors

Name:(1R,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CAS Number: 4948-28-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:225-591-4
FDA UNII:2J3SJ3OQEU
Nikkaji Web:J384.063H
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
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
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Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
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 mmHg @ 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
 
Organoleptic Properties:
Odor Type: woody
Odor Strength:medium
Substantivity:28 hour(s) at 100.00 %
pine woody fir needle camphoreous incense
Odor Description:at 100.00 %. pine woody fir needle camphor incense
Luebke, William tgsc, (1993)
Odor sample from: Millennium Chemicals
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
cis-2-Pinanol
 
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
 
Safety in Use Information:
Category:
fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):4948-28-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6428289
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1325
WGK Germany:2
(1R,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
Chemidplus:0004948281
RTECS:DT5080000 for cas# 4948-28-1
 
References:
 (1R,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:4948-28-1
Pubchem (cid):6428289
Pubchem (sid):134975675
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (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
 
Potential Blenders and core components note
For Odor
No odor group found for these
pine needle concrete
FR
(E)-
verbenol
FL/FR
(Z)-
verbenol
FL/FR
aldehydic
aldehydic
pinoacetaldehyde
FR
amber
amber decane
FR
ambroxide
FL/FR
balsamic
abies alba cone oil
FR
abies alba leaf extract
FR
abies alba needle oil
FL/FR
balsam fir oleoresin
FL/FR
laevo-
borneol
FL/FR
dextro,laevo-
borneol
FL/FR
dextro-
borneol
FL/FR
bornyl acetate
FL/FR
laevo-
bornyl acetate
FL/FR
iso
bornyl isobutyrate
FL/FR
iso
bornyl methyl ether
FL/FR
iso
bornyl phenyl acetate
FL/FR
iso
bornyl propionate
FL/FR
conifer acetate
FR
cypress absolute
FR
dextro-
fenchone
FL/FR
fenchyl acetate
FL/FR
fir balsam absolute
FR
fir balsam fragrance
FR
fir balsam oregon
FR
fir carboxylate
FR
fir needle oil canada
FL/FR
fir needle oil siberia
FL/FR
fir needle oil terpeneless canada
FL/FR
fir tree fragrance
FR
gurjun balsam
FR
hemlock western oil (tsuga heterophylla) canada
FR
hexyl cinnamate
FR
juniper berry oil terpeneless
FL/FR
nopol
FL/FR
(Z)-
pinane
FR
pine needle absolute
FL/FR
spruce needle absolute
FL/FR
red
spruce oil
FR
terpinyl benzoate
FR
terpinyl isovalerate
FL/FR
verbenol
FL/FR
camphoreous
bornyl isobutyrate
FL/FR
camphor tree bark oil
FL/FR
fenchol
FL/FR
laevo-
fenchone
FL/FR
hinoki leaf oil
FR
earthy
scotch
pine needle oil
FL/FR
scotch
pine needle oil estonia
FL/FR
scotch
pine needle oil yugoslavia
FL/FR
floral
gamma-
damascone
FR
verdyl acetate
FR
fruity
cis-
green acetate
FR
herbal
bornyl salicylate
FR
1,4-
cineole
FL/FR
alpha-
dihydroterpineol
FL/FR
dihydroterpinyl acetate
FL/FR
herbal specialty
FR
herbal undecanone
FR
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
hyssop oil
FL/FR
lavandula stoechas oil
FR
myrtenol
FL/FR
nopyl acetate
FR
pine hexanol
FR
laevo-beta-
pinene
FL/FR
L-(-)-alpha-
pinene
FL/FR
beta-
pinene
FL/FR
alpha-
pinene
FL/FR
pinocarveol
FL/FR
sage oleoresin
FL/FR
terpineol acetate
FL/FR
terpineols (unspec.) (mixed isomers)
FL/FR
terpinolene
FL/FR
tricyclo(5.2.1.02,6)dec-3-enyl acetate
FR
pine
cypress oil replacer
FR
dipentene terpene hydrocarbon byproducts
FR
evergreen fragrance
FR
white
pine bark oil
FL/FR
spicy
ayou wood oil
FR
outdoors specialty
FR
tea tree oil
FR
terpenic
cypress leaf oil
FR
juniperus communis fruit oil
FL/FR
laevo-
limonene
FL/FR
pine needle oil dwarf
FL/FR
D-(+)-beta-
pinene
FL/FR
pinus nigra twig leaf oil
FR
woody
abies alba cone extract
FL/FR
amber decatriene
FR
ambrene acetal
FR
amyris acetate
FR
iso
bornyl isovalerate
FL/FR
boswellia neglecta resin oil
FL/FR
(+)-
camphene
FL/FR
(-)-
camphene
FL/FR
camphene
FL/FR
caryophyllene alcohol acetate
FR
cedanol
FR
cedar cyclododecatriene
FR
cedarwood oil himalaya
FR
cedarwood oil port orford
FR
(R)-
cedralone
FR
cedrela wood oil
FR
alpha-
cedrene
FL/FR
cedrenyl acetate
FR
cedryl acetate
FL/FR
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-ol
FL/FR
douglas
fir oil
FR
longifolene
FL/FR
para-
menth-3-en-1-ol
FL/FR
myoporum crassifolium wood oil
FR
myrtenyl formate
FL/FR
nopyl aldehyde
FR
sabinene
FL/FR
spruce needle oil canada
FL/FR
sugi wood oil
FR
woody acetate
FR
(Z)-
woody amylene
FR
woody dodecane
FR
woody ether
FR
For Flavor
No flavor group found for these
abies alba cone extract
FL/FR
ambroxide
FL/FR
balsam fir oleoresin
FL/FR
dextro,laevo-
borneol
FL/FR
dextro-
borneol
FL/FR
bornyl isobutyrate
FL/FR
iso
bornyl methyl ether
FL/FR
iso
bornyl phenyl acetate
FL/FR
(-)-
camphene
FL/FR
(+)-
camphene
FL/FR
alpha-
cedrene
FL/FR
dihydroterpinyl acetate
FL/FR
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-ol
FL/FR
fir needle oil canada
FL/FR
para-
menth-3-en-1-ol
FL/FR
myrtenyl formate
FL/FR
nopol
FL/FR
white
pine bark oil
FL/FR
pine needle absolute
FL/FR
scotch
pine needle oil
FL/FR
scotch
pine needle oil estonia
FL/FR
scotch
pine needle oil yugoslavia
FL/FR
D-(+)-beta-
pinene
FL/FR
laevo-beta-
pinene
FL/FR
L-(-)-alpha-
pinene
FL/FR
terpineol acetate
FL/FR
terpineols (unspec.) (mixed isomers)
FL/FR
(Z)-
verbenol
FL/FR
(E)-
verbenol
FL/FR
balsamic
balsamic
laevo-
bornyl acetate
FL/FR
iso
bornyl isobutyrate
FL/FR
iso
bornyl propionate
FL/FR
fir needle oil siberia
FL/FR
fir needle oil terpeneless canada
FL/FR
spruce needle absolute
FL/FR
bitter
terpinyl isovalerate
FL/FR
camphoreous
laevo-
borneol
FL/FR
bornyl acetate
FL/FR
camphene
FL/FR
camphor tree bark oil
FL/FR
fenchol
FL/FR
laevo-
fenchone
FL/FR
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
pinocarveol
FL/FR
cooling
1,4-
cineole
FL/FR
dextro-
fenchone
FL/FR
herbal
hyssop oil
FL/FR
sage oleoresin
FL/FR
verbenol
FL/FR
minty
myrtenol
FL/FR
pine
pine needle oil dwarf
FL/FR
beta-
pinene
FL/FR
powdery
powdery ketone
FL
spicy
white
pepper oleoresin
FL
terpenic
abies alba needle oil
FL/FR
juniperus communis fruit oil
FL/FR
laevo-
limonene
FL/FR
woody
iso
bornyl isovalerate
FL/FR
boswellia neglecta resin oil
FL/FR
cedryl acetate
FL/FR
alpha-
dihydroterpineol
FL/FR
fenchyl acetate
FL/FR
juniper berry oil terpeneless
FL/FR
longifolene
FL/FR
alpha-
pinene
FL/FR
sabinene
FL/FR
spruce needle oil canada
FL/FR
terpinolene
FL/FR
 
Potential Uses:
FL/FRcamphor tree bark
FRfir needle oil replacer
FRfresh outdoors
FRgreen
FRherbal
FRmint
FRpine
FRwoody
 
Occurrence (nature, food, other):note
 found in nature
 
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
(1R,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
 
 
Notes:
None found
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