methyl abietate, 127-25-3

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CODE134439 CODE134439
Product(s):
127-25-3 METHYL ABIETATE 95%

Penta International Corporation

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For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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CODE134439 CODE134439
Product(s):
13-26100 METHYL ABIETATE

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We fully understand the demands of the F&F industry and we endeavour to supply quality products, with ready availability and a personalised service.
Since 2001 TAYTONN has been distributing key ingredients to the Fragrance and Flavor industry in Asia. We work closely with customers, principals and vendors. Together we forecast demand and match it with supply of aroma chemicals, essential oils and natural isolates & extracts. Sourced from around the world, our F&F ingredient inventory in Singapore is ready to ship to any location in Asia and beyond. Time and again, we help our principals introduce new discoveries to the F&F market - stimulating creativity and bringing value added proposition to our customers.
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CODE134439 CODE134439
Product(s):
Methyl Abietate

Name:	methyl (1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
CAS Number:	127-25-3	3D/inchi
ECHA EINECS - REACH Pre-Reg:	204-832-7
FDA UNII:	BY54I7IT3L
Nikkaji Web:	J1.324.517G
Beilstein Number:	2702228
MDL:	MFCD00019100
XlogP3-AA:	5.10 (est)
Molecular Weight:	316.48444000
Formula:	C21 H32 O2
BioActivity Summary:	listing
NMR Predictor:	Predict (works with chrome, Edge 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
Google Scholar: with word "flavor"	Search
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
FDA Mainterm (IAUFC):	127-25-3 ; METHYL ABIETATE

Physical Properties:

Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	362.50 °C. @ 760.00 mm Hg
Flash Point:	379.00 °F. TCC ( 192.80 °C. ) (est)
logP (o/w):	7.503 (est)
Soluble in:
	alcohol
	water, 0.017 mg/L @ 25 °C (est)

Organoleptic Properties:

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.

METHYL ABIETATE 95%

Penta International

METHYL ABIETATE

Sigma-Aldrich: Aldrich

For experimental / research use only.

Odor: Balsamic, Pine, Sweet, Woody

Safety Information:

Preferred SDS: View

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 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 931, 1974.
Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 931, 1974.
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice

Recommendation for methyl abietate 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):127-25-3

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :31377

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:2

methyl (1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate

Chemidplus:0000127253

References:

	methyl (1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	127-25-3
Pubchem (cid):	31377
Pubchem (sid):	134974054
Pherobase:	View

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
FDA Indirect Additives used in Food Contact Substances:	View
HMDB (The Human Metabolome Database):	Search
ChemSpider:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

not found in nature

Synonyms:

	abietic acid, methyl ester
	methyl (1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
	methyl (1R(1, 4a,4b,10a))-1,2, 3,4,4a,4b, 5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methyl ethyl)-1-phenanthrene carboxylate
	methyl 7,13-abietadien-18-oate
1-	phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R-(1a,4aβ,4ba,10aa))-
1-	phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)-
	podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, methyl ester

Articles:

PubMed:Selective oxidation reactions of natural compounds with hydrogen peroxide mediated by methyltrioxorhenium.

PubMed:Chemical composition and biological activity of a new type of Brazilian propolis: red propolis.

PubMed:Oxidation products of abietic acid and its methyl ester.

PubMed:Multiple forms of O-methyltransferase involved in the microbial conversion of abietic acid into methyl abietate by Mycobacterium sp.

PubMed:Contact allergy due to colophony (III). Sensitizing potency of resin acids and some related products.

PubMed:[Allergologic studies of intolerance to rosin].

PubMed:Dihydroabietyl alcohol (Abitol): a sensitizer in mascara.

Notes:

None found

methyl abietate abietic acid, methyl ester

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Articles:

methyl abietate
abietic acid, methyl ester