ABIETIC ACID

CAS No.
514-10-3
CCD No.
CCD00382951
Formula
C20 H30 O2
MolWeight
302.455

Basic Information

Product Name: ABIETIC ACID
CAS: 514-10-3
English Synonyms: (1R,4AR,4BR,10AR)-1,4A-DIMETHYL-7-(PROPAN-2-YL)-1,2,3,4,4A,4B,5,6,10,10A-DECAHYDROPHENANTHRENE-1-CARBOXYLIC ACID ; ROSIN ACID ; SYLVIC ACID ; 7,13-ABIETADIEN-18-OIC ACID ; 13-ISOPROPYLPODOCARPA-7,13-DIEN-15-OIC ACID ; ABIETIC ACID
MDL Number.: MFCD03423567
H bond acceptor: 2
H bond donor: 1
Smile: CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C
InChi: InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
InChiKey: InChIKey=RSWGJHLUYNHPMX-ONCXSQPRSA-N

Property

Melting Point: APPROX 155 DEG C/139-142 °C
Comments: ASSAY METHOD: APPROX 75% (GC)
OPTICAL ACTIVITY: [ALPHA]20/D -85+/-10 DEG, C = 1% IN ETHANOL
OTHER NOTES: EPOXIDATION WITH MCPBA4
OTHER NOTES: STARTING MATERIAL FOR NATURAL PRODUCT SYNTHESIS
RIDADR: UN 3077 9/PG 3
RTECS: TP8580000
STORAGE TEMPERATURE: 2-8 DEG C
UNSPSC: 12352100
WGK: 3
Specification: TECHNICAL GRADE

Safety information

Symbol: GHS07 GHS07 GHS09 GHS09
Signal word: Warning
Hazard statements: H315-H319-H335-H400
Precautionary statements: P261-P273-P305 + P351 + P338
hazard symbol: Xi,N
Risk Code: R:36/37/38-50/53
Safe Code: S:26-36
UN Code: 3077
WGK Germany: 3

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