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

3-methyl-1-penten-3-ol
1-penten-3-ol, 3-methyl-

Supplier Sponsors

CAS Number: 918-85-4Picture of molecule3D/inchi
Other(deleted CASRN):86361-10-6
ECHA EINECS - REACH Pre-Reg:213-044-2
FDA UNII: Search
Nikkaji Web:J69.503C
Beilstein Number:1361621
MDL:MFCD00004481
XlogP3-AA:1.30 (est)
Molecular Weight:100.16084000
Formula:C6 H12 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
CAS Number: 918-85-4 (R)Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J232.273K
XlogP3-AA:1.30 (est)
Molecular Weight:100.16084000
Formula:C6 H12 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
CAS Number: 918-85-4 (S)Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J232.274I
XlogP3-AA:1.30 (est)
Molecular Weight:100.16084000
Formula:C6 H12 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
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
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.83800 @ 25.00 °C.
Refractive Index:1.42800 @ 20.00 °C.
Boiling Point: 115.00 to 117.00 °C. @ 760.00 mm Hg
Vapor Pressure:9.361000 mmHg @ 25.00 °C. (est)
Flash Point: 78.00 °F. TCC ( 25.56 °C. )
logP (o/w): 1.402 (est)
Soluble in:
 alcohol
 water, 1.706e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3-Methyl-1-penten-3-ol
Penta International
3-METHYL-1-PENTEN-3-OL
Santa Cruz Biotechnology
For experimental / research use only.
3-Methyl-1-penten-3-ol
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-Methyl-1-penten-3-ol 99%
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 10 - Flammable.
R 22 - Harmful if swallowed.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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 700 mg/kg
Journal of Pharmacology and Experimental Therapeutics. Vol. 115, Pg. 230, 1955.

oral-mouse LD50 1152 mg/kg
Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 477, 1954.

Dermal Toxicity:
subcutaneous-mouse LD50 1160 mg/kg
Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 161, 1955.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for 3-methyl-1-penten-3-ol usage levels up to:
 not for fragrance use.
 
Recommendation for 3-methyl-1-penten-3-ol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):918-85-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :13519
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1987
WGK Germany:3
3-methylpent-1-en-3-ol
Chemidplus:0000918854
RTECS:SB3495000 for cas# 918-85-4
(3R)-3-methylpent-1-en-3-ol
(3S)-3-methylpent-1-en-3-ol
 
References:
 3-methylpent-1-en-3-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:918-85-4
Pubchem (cid):13519
Pubchem (sid):134980244
 (3R)-3-methylpent-1-en-3-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:918-85-4
Pubchem (cid):6994763
Pubchem (sid):43596952
 (3S)-3-methylpent-1-en-3-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:918-85-4
Pubchem (cid):6999940
Pubchem (sid):43601554
 
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):HMDB61882
Export Tariff Code:2905.29.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 spondias tuberosa arruda fruit
Search Trop Picture
 
Synonyms:
 ethyl butenol
 ethyl methyl vinyl carbinol
 ethylbutenol
 methyl ethyl vinyl carbinol
(±)-3-methyl pent-1-en-3-ol
(±)-3-methyl-1-penten-3-ol
 methylethylvinyl carbinol
 methylethylvinylcarbinol
3-methylpent-1-en-3-ol
 pent-1-en-3-ol, 3-methyl-
1-penten-3-ol, 3-methyl-
 

Articles:

PubMed:Studies of the gas phase reactions of linalool, 6-methyl-5-hepten-2-ol and 3-methyl-1-penten-3-ol with O3 and OH radicals.
PubMed:Bacterial degradation of tert-amyl alcohol proceeds via hemiterpene 2-methyl-3-buten-2-ol by employing the tertiary alcohol desaturase function of the Rieske nonheme mononuclear iron oxygenase MdpJ.
PubMed:Sesquiterpenes from Laurencia similis.
PubMed:Sesquiterpene-like inhibitors of a 9-cis-epoxycarotenoid dioxygenase regulating abscisic acid biosynthesis in higher plants.
PubMed:Synthesis and reactivity studies of palladium(II) complexes containing the N-phosphorylated iminophosphorane-phosphine ligands Ph2PCH2P{=NP(=O)(OR)2}Ph2 (R=Et, Ph): application to the catalytic synthesis of 2,3-dimethylfuran.
PubMed:Selective hydrogenation by Pd nanoparticles embedded in polyelectrolyte multilayers.
PubMed:Four new bromotryptamine derivatives from the marine bryozoan Flustra foliacea.
PubMed:A density-functional study of the mechanism for the diastereoselective epoxidation of chiral allylic alcohols by the titanium peroxy complexes.
PubMed:Anthracenone ABA analogue as a potential photoaffinity reagent for ABA-binding proteins.
 
Notes:
None found
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